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

C25H29NO2 — CID 17155694

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1
InChIInChI=1S/C25H29NO2/c1-3-10-23(22-13-8-5-9-14-22)26-18-21-15-16-24(25(17-21)27-2)28-19-20-11-6-4-7-12-20/h4-9,11-17,23,26H,3,10,18-19H2,1-2H3
InChIKeyBLUAPAGZFBANBO-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.91
Rot. Bonds10

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

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine (PubChem CID 17155694) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
PubChem CID17155694
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1
InChIInChI=1S/C25H29NO2/c1-3-10-23(22-13-8-5-9-14-22)26-18-21-15-16-24(25(17-21)27-2)28-19-20-11-6-4-7-12-20/h4-9,11-17,23,26H,3,10,18-19H2,1-2H3
InChIKeyBLUAPAGZFBANBO-UHFFFAOYSA-N
XLogP5.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156142
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17156166
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156511
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156010
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156456
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine (CID 17155694) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine is CCCC(NCc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine?
The InChIKey is BLUAPAGZFBANBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-3-10-23(22-13-8-5-9-14-22)26-18-21-15-16-24(25(17-21)27-2)28-19-20-11-6-4-7-12-20/h4-9,11-17,23,26H,3,10,18-19H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine has a molecular weight of 375.51 g/mol, XLogP of 5.91, 10 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-phenylbutan-1-amine is sourced from PubChem (CID 17155694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).