1-[1-(3-chlorophenyl)ethylamino]propan-2-ol

C11H16ClNO — CID 43499317

IUPAC1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
SMILESCC(O)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-8(14)7-13-9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13-14H,7H2,1-2H3
InChIKeyXXFCWGHMFDSSQY-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.37
Rot. Bonds4

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

1-[1-(3-chlorophenyl)ethylamino]propan-2-ol (PubChem CID 43499317) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
PubChem CID43499317
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
SMILESCC(O)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-8(14)7-13-9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13-14H,7H2,1-2H3
InChIKeyXXFCWGHMFDSSQY-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81372262
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81366163
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 104881782

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol (CID 43499317) is 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol is CC(O)CNC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol?
The InChIKey is XXFCWGHMFDSSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(14)7-13-9(2)10-4-3-5-11(12)6-10/h3-6,8-9,13-14H,7H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol?
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol has a molecular weight of 213.71 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 43499317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).