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

C17H20ClNO — CID 115577747

IUPAC1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
SMILESCC(CNCC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-13(14-5-3-2-4-6-14)11-19-12-17(20)15-7-9-16(18)10-8-15/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyAZVGMBMYUFKAMI-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.77
Rot. Bonds6

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

1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol (PubChem CID 115577747) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
PubChem CID115577747
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
SMILESCC(CNCC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-13(14-5-3-2-4-6-14)11-19-12-17(20)15-7-9-16(18)10-8-15/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyAZVGMBMYUFKAMI-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol (CID 115577747) is 1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol is CC(CNCC(O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol?
The InChIKey is AZVGMBMYUFKAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(14-5-3-2-4-6-14)11-19-12-17(20)15-7-9-16(18)10-8-15/h2-10,13,17,19-20H,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol?
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol has a molecular weight of 289.81 g/mol, XLogP of 3.77, 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-(2-phenylpropylamino)ethanol is sourced from PubChem (CID 115577747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).