1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol

C17H20ClNO — CID 62304367

IUPAC1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
SMILESCCC(NCC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-2-16(13-6-4-3-5-7-13)19-12-17(20)14-8-10-15(18)11-9-14/h3-11,16-17,19-20H,2,12H2,1H3
InChIKeyOEAHRMQMVPDJQN-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol

1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol (PubChem CID 62304367) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
PubChem CID62304367
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
SMILESCCC(NCC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-2-16(13-6-4-3-5-7-13)19-12-17(20)14-8-10-15(18)11-9-14/h3-11,16-17,19-20H,2,12H2,1H3
InChIKeyOEAHRMQMVPDJQN-UHFFFAOYSA-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

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Related Compounds

4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine
CID 63451971
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol (CID 62304367) is 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol is CCC(NCC(O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol?
The InChIKey is OEAHRMQMVPDJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-16(13-6-4-3-5-7-13)19-12-17(20)14-8-10-15(18)11-9-14/h3-11,16-17,19-20H,2,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol?
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol 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 1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol is sourced from PubChem (CID 62304367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).