1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine

C18H22ClNO — CID 103463748

IUPAC1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
SMILESCOCC(NC(C)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-14(11-15-7-6-10-17(19)12-15)20-18(13-21-2)16-8-4-3-5-9-16/h3-10,12,14,18,20H,11,13H2,1-2H3
InChIKeyBUDLWHYDXYBNGW-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.25
Rot. Bonds7

About 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine

1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine (PubChem CID 103463748) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
PubChem CID103463748
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
SMILESCOCC(NC(C)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-14(11-15-7-6-10-17(19)12-15)20-18(13-21-2)16-8-4-3-5-9-16/h3-10,12,14,18,20H,11,13H2,1-2H3
InChIKeyBUDLWHYDXYBNGW-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-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-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490
2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
1-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63697757

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine (CID 103463748) is 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine is COCC(NC(C)Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine?
The InChIKey is BUDLWHYDXYBNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-14(11-15-7-6-10-17(19)12-15)20-18(13-21-2)16-8-4-3-5-9-16/h3-10,12,14,18,20H,11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine?
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine is sourced from PubChem (CID 103463748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).