N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

C25H27NO — CID 18361491

IUPACN-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCNCC1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C25H27NO/c1-26-17-20-9-12-24-16-25(14-13-23(24)15-20)27-18-19-7-10-22(11-8-19)21-5-3-2-4-6-21/h2-8,10-11,13-14,16,20,26H,9,12,15,17-18H2,1H3
InChIKeyQXPOBYMBPQWSKX-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.26
Rot. Bonds6

About N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (PubChem CID 18361491) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
PubChem CID18361491
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC NameN-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCNCC1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C25H27NO/c1-26-17-20-9-12-24-16-25(14-13-23(24)15-20)27-18-19-7-10-22(11-8-19)21-5-3-2-4-6-21/h2-8,10-11,13-14,16,20,26H,9,12,15,17-18H2,1H3
InChIKeyQXPOBYMBPQWSKX-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
CID 18361489
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199
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
2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
CID 158187299
[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 20700046
propane;[6-[(4-pyridin-3-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 157495481
[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol
CID 59091076
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
2-[6-[[4-(1,3-benzodioxol-5-yl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
CID 158666821
2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 18361484
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
6-[[4-(4-decoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19070004

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (CID 18361491) is N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is CNCC1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1.
What is the InChIKey of N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The InChIKey is QXPOBYMBPQWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-26-17-20-9-12-24-16-25(14-13-23(24)15-20)27-18-19-7-10-22(11-8-19)21-5-3-2-4-6-21/h2-8,10-11,13-14,16,20,26H,9,12,15,17-18H2,1H3.
What are the key properties of N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine has a molecular weight of 357.50 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is sourced from PubChem (CID 18361491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).