N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine

C34H39NO2 — CID 176828267

IUPACN-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCN(Cc1ccccc1)C(C)c1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C34H39NO2/c1-26(2)37-31-21-19-30(20-22-31)32(33-17-11-12-18-34(33)36-4)23-24-35(25-28-13-7-5-8-14-28)27(3)29-15-9-6-10-16-29/h5-22,26-27,32H,23-25H2,1-4H3
InChIKeyQUJQIWMMNXLIHA-UHFFFAOYSA-N
MW493.69 g/mol
LogP8.27
Rot. Bonds12

About N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine

N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 176828267) has the molecular formula C34H39NO2 and a molecular weight of 493.69 g/mol. Its IUPAC name is N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine
PubChem CID176828267
Molecular FormulaC34H39NO2
Molecular Weight493.69 g/mol
Exact Mass493.30
IUPAC NameN-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1ccccc1C(CCN(Cc1ccccc1)C(C)c1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C34H39NO2/c1-26(2)37-31-21-19-30(20-22-31)32(33-17-11-12-18-34(33)36-4)23-24-35(25-28-13-7-5-8-14-28)27(3)29-15-9-6-10-16-29/h5-22,26-27,32H,23-25H2,1-4H3
InChIKeyQUJQIWMMNXLIHA-UHFFFAOYSA-N
XLogP8.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.69
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 176828269
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 40877913
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 2965324
N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 4610480
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 2920636
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 1071993
N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 3708634
(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide
CID 41064795
N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 106511322
N-benzyl-N-chloro-1-(4-methoxyphenyl)ethanamine;ethane
CID 144529374
N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine (CID 176828267) is N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine is COc1ccccc1C(CCN(Cc1ccccc1)C(C)c1ccccc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is QUJQIWMMNXLIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NO2/c1-26(2)37-31-21-19-30(20-22-31)32(33-17-11-12-18-34(33)36-4)23-24-35(25-28-13-7-5-8-14-28)27(3)29-15-9-6-10-16-29/h5-22,26-27,32H,23-25H2,1-4H3.
What are the key properties of N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine?
N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 493.69 g/mol, XLogP of 8.27, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 176828267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).