(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol

C17H20ClNO — CID 111755726

IUPAC(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@H](CCO)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13(15-9-5-6-10-16(15)18)19-17(11-12-20)14-7-3-2-4-8-14/h2-10,13,17,19-20H,11-12H2,1H3/t13?,17-/m1/s1
InChIKeyPVFWIDFRWXXEJA-LRHAYUFXSA-N
MW289.81 g/mol
LogP4.11
Rot. Bonds6

About (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol

(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 111755726) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID111755726
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@H](CCO)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13(15-9-5-6-10-16(15)18)19-17(11-12-20)14-7-3-2-4-8-14/h2-10,13,17,19-20H,11-12H2,1H3/t13?,17-/m1/s1
InChIKeyPVFWIDFRWXXEJA-LRHAYUFXSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol 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-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
CID 122234675
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
(3R)-3-[[(1R)-1-(2-methyl-3-nitrophenyl)ethyl]amino]-3-phenylpropan-1-ol
CID 97322800
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol
CID 103783992
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81377419
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol (CID 111755726) is (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol is CC(N[C@H](CCO)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is PVFWIDFRWXXEJA-LRHAYUFXSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(15-9-5-6-10-16(15)18)19-17(11-12-20)14-7-3-2-4-8-14/h2-10,13,17,19-20H,11-12H2,1H3/t13?,17-/m1/s1.
What are the key properties of (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol?
(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111755726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).