N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine

C30H35NO — CID 165176534

IUPACN-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1CCc2cc(OC3C4=CC3=C(c3ccccc3)C=C4)ccc2C1
InChIInChI=1S/C30H35NO/c1-3-16-31(17-4-2)21-22-10-11-25-19-27(14-12-24(25)18-22)32-30-26-13-15-28(29(30)20-26)23-8-6-5-7-9-23/h5-9,12-15,19-20,22,30H,3-4,10-11,16-18,21H2,1-2H3
InChIKeyOKMCDJFEJRKBPV-UHFFFAOYSA-N
MW425.62 g/mol
LogP6.62
Rot. Bonds9

About N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine

N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine (PubChem CID 165176534) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine
PubChem CID165176534
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC NameN-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1CCc2cc(OC3C4=CC3=C(c3ccccc3)C=C4)ccc2C1
InChIInChI=1S/C30H35NO/c1-3-16-31(17-4-2)21-22-10-11-25-19-27(14-12-24(25)18-22)32-30-26-13-15-28(29(30)20-26)23-8-6-5-7-9-23/h5-9,12-15,19-20,22,30H,3-4,10-11,16-18,21H2,1-2H3
InChIKeyOKMCDJFEJRKBPV-UHFFFAOYSA-N
XLogP6.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine with MolForge

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Related Compounds

2-[6-[(7-methoxy-2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 156789656
(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 118352720
N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
CID 18361489
1-[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361596
N,N,N'-trimethyl-N'-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 18361575
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199
1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361480
6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
CID 20500248
2-[[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]phenol
CID 124560099
[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 20700046

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine (CID 165176534) is N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)CC1CCc2cc(OC3C4=CC3=C(c3ccccc3)C=C4)ccc2C1.
What is the InChIKey of N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is OKMCDJFEJRKBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO/c1-3-16-31(17-4-2)21-22-10-11-25-19-27(14-12-24(25)18-22)32-30-26-13-15-28(29(30)20-26)23-8-6-5-7-9-23/h5-9,12-15,19-20,22,30H,3-4,10-11,16-18,21H2,1-2H3.
What are the key properties of N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine?
N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 425.62 g/mol, XLogP of 6.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 165176534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).