(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine

C23H25NO — CID 58833177

IUPAC(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C)cc1
InChIInChI=1S/C23H25NO/c1-17-9-12-21(13-10-17)22-15-19(11-14-23(22)25-3)16-24-18(2)20-7-5-4-6-8-20/h4-15,18,24H,16H2,1-3H3/t18-/m1/s1
InChIKeyBAHLBJYKEQNGQY-GOSISDBHSA-N
MW331.46 g/mol
LogP5.52
Rot. Bonds6

About (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine

(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine (PubChem CID 58833177) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
PubChem CID58833177
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C)cc1
InChIInChI=1S/C23H25NO/c1-17-9-12-21(13-10-17)22-15-19(11-14-23(22)25-3)16-24-18(2)20-7-5-4-6-8-20/h4-15,18,24H,16H2,1-3H3/t18-/m1/s1
InChIKeyBAHLBJYKEQNGQY-GOSISDBHSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 20803287
N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 22391257
(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 10452724
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
CID 22391534
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
CID 10387924
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
(1S)-N-[(4-methoxy-3-nitrophenyl)methyl]-1-phenylethanamine
CID 29048125
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine (CID 58833177) is (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine is COc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C)cc1.
What is the InChIKey of (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine?
The InChIKey is BAHLBJYKEQNGQY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25NO/c1-17-9-12-21(13-10-17)22-15-19(11-14-23(22)25-3)16-24-18(2)20-7-5-4-6-8-20/h4-15,18,24H,16H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine?
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine has a molecular weight of 331.46 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 58833177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).