N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine

C30H31NO2 — CID 2845777

IUPACN-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
SMILESCOc1cc(CN(CCc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C30H31NO2/c1-32-30-21-28(17-18-29(30)33-24-27-15-9-4-10-16-27)23-31(22-26-13-7-3-8-14-26)20-19-25-11-5-2-6-12-25/h2-18,21H,19-20,22-24H2,1H3
InChIKeyTYZUSUXKNZIZJW-UHFFFAOYSA-N
MW437.58 g/mol
LogP6.52
Rot. Bonds11

About N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine

N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine (PubChem CID 2845777) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
PubChem CID2845777
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC NameN-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
SMILESCOc1cc(CN(CCc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C30H31NO2/c1-32-30-21-28(17-18-29(30)33-24-27-15-9-4-10-16-27)23-31(22-26-13-7-3-8-14-26)20-19-25-11-5-2-6-12-25/h2-18,21H,19-20,22-24H2,1H3
InChIKeyTYZUSUXKNZIZJW-UHFFFAOYSA-N
XLogP6.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[benzyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 3541865
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(3-nitrophenyl)methyl]-3-phenylpropan-1-amine
CID 23794044
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)butan-1-amine
CID 141000405
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetic acid
CID 142696090
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
CID 66591267
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
N'-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912637
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine (CID 2845777) is N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine is COc1cc(CN(CCc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine?
The InChIKey is TYZUSUXKNZIZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-32-30-21-28(17-18-29(30)33-24-27-15-9-4-10-16-27)23-31(22-26-13-7-3-8-14-26)20-19-25-11-5-2-6-12-25/h2-18,21H,19-20,22-24H2,1H3.
What are the key properties of N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine?
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine has a molecular weight of 437.58 g/mol, XLogP of 6.52, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 2845777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).