propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

C26H32N2O — CID 157495481

IUPACpropane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCCC.NCC1CCc2cc(OCc3ccc(-c4cccnc4)cc3)ccc2C1
InChIInChI=1S/C23H24N2O.C3H8/c24-14-18-5-8-21-13-23(10-9-20(21)12-18)26-16-17-3-6-19(7-4-17)22-2-1-11-25-15-22;1-3-2/h1-4,6-7,9-11,13,15,18H,5,8,12,14,16,24H2;3H2,1-2H3
InChIKeyBXTZQJQQXDFTET-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.81
Rot. Bonds5

About propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (PubChem CID 157495481) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.

Molecular Properties

Compound Namepropane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
PubChem CID157495481
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Namepropane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCCC.NCC1CCc2cc(OCc3ccc(-c4cccnc4)cc3)ccc2C1
InChIInChI=1S/C23H24N2O.C3H8/c24-14-18-5-8-21-13-23(10-9-20(21)12-18)26-16-17-3-6-19(7-4-17)22-2-1-11-25-15-22;1-3-2/h1-4,6-7,9-11,13,15,18H,5,8,12,14,16,24H2;3H2,1-2H3
InChIKeyBXTZQJQQXDFTET-UHFFFAOYSA-N
XLogP5.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 20700046
2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
CID 158187299
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199
2-[6-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
CID 158666821
N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
CID 18361489
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
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol
CID 59091076
2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 18361484
6-[[4-(4-decoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19070004
1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361480

Frequently Asked Questions

What is the IUPAC name of propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The IUPAC name of propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (CID 157495481) is propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.
What is the SMILES notation for propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The canonical SMILES for propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is CCC.NCC1CCc2cc(OCc3ccc(-c4cccnc4)cc3)ccc2C1.
What is the InChIKey of propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The InChIKey is BXTZQJQQXDFTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O.C3H8/c24-14-18-5-8-21-13-23(10-9-20(21)12-18)26-16-17-3-6-19(7-4-17)22-2-1-11-25-15-22;1-3-2/h1-4,6-7,9-11,13,15,18H,5,8,12,14,16,24H2;3H2,1-2H3.
What are the key properties of propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine has a molecular weight of 388.56 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is sourced from PubChem (CID 157495481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).