N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine

C17H20ClN — CID 81366808

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-13(11-15-7-4-3-5-8-15)19-14(2)16-9-6-10-17(18)12-16/h3-10,12-14,19H,11H2,1-2H3/t13?,14-/m1/s1
InChIKeyCUGRHQZFYQZFCP-ARLHGKGLSA-N
MW273.81 g/mol
LogP4.62
Rot. Bonds5

About N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine (PubChem CID 81366808) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
PubChem CID81366808
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-13(11-15-7-4-3-5-8-15)19-14(2)16-9-6-10-17(18)12-16/h3-10,12-14,19H,11H2,1-2H3/t13?,14-/m1/s1
InChIKeyCUGRHQZFYQZFCP-ARLHGKGLSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-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]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 81362729
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
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
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine
CID 63462421
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
CID 103463748
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
CID 63260675

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine (CID 81366808) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)N[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine?
The InChIKey is CUGRHQZFYQZFCP-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13(11-15-7-4-3-5-8-15)19-14(2)16-9-6-10-17(18)12-16/h3-10,12-14,19H,11H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 81366808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).