N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine

C24H27NO2 — CID 54848825

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-3-22(21-12-8-5-9-13-21)25-17-20-14-15-23(24(16-20)26-2)27-18-19-10-6-4-7-11-19/h4-16,22,25H,3,17-18H2,1-2H3
InChIKeySLMYGWRGWVEFMA-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.52
Rot. Bonds9

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine (PubChem CID 54848825) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
PubChem CID54848825
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-3-22(21-12-8-5-9-13-21)25-17-20-14-15-23(24(16-20)26-2)27-18-19-10-6-4-7-11-19/h4-16,22,25H,3,17-18H2,1-2H3
InChIKeySLMYGWRGWVEFMA-UHFFFAOYSA-N
XLogP5.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156142
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17156166
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156511
(2S)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726611
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17291399

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine (CID 54848825) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine is CCC(NCc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine?
The InChIKey is SLMYGWRGWVEFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-22(21-12-8-5-9-13-21)25-17-20-14-15-23(24(16-20)26-2)27-18-19-10-6-4-7-11-19/h4-16,22,25H,3,17-18H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine has a molecular weight of 361.49 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 54848825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).