3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine

C21H29NO — CID 4313716

IUPAC3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine
SMILESCOc1ccc(C(CCNC(C)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H29NO/c1-16(2)21(19-10-12-20(23-4)13-11-19)14-15-22-17(3)18-8-6-5-7-9-18/h5-13,16-17,21-22H,14-15H2,1-4H3
InChIKeyFSRSEQHPNWNBKP-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.18
Rot. Bonds8

About 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine

3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine (PubChem CID 4313716) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine
PubChem CID4313716
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine
SMILESCOc1ccc(C(CCNC(C)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H29NO/c1-16(2)21(19-10-12-20(23-4)13-11-19)14-15-22-17(3)18-8-6-5-7-9-18/h5-13,16-17,21-22H,14-15H2,1-4H3
InChIKeyFSRSEQHPNWNBKP-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine (CID 4313716) is 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine is COc1ccc(C(CCNC(C)c2ccccc2)C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine?
The InChIKey is FSRSEQHPNWNBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-16(2)21(19-10-12-20(23-4)13-11-19)14-15-22-17(3)18-8-6-5-7-9-18/h5-13,16-17,21-22H,14-15H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine?
3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-methyl-N-(1-phenylethyl)pentan-1-amine is sourced from PubChem (CID 4313716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).