3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol

C11H16ClNO — CID 28714593

IUPAC3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](NCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-9(13-7-2-8-14)10-3-5-11(12)6-4-10/h3-6,9,13-14H,2,7-8H2,1H3/t9-/m0/s1
InChIKeyWZHAAEAVTMFYSW-VIFPVBQESA-N
MW213.71 g/mol
LogP2.37
Rot. Bonds5

About 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol

3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol (PubChem CID 28714593) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
PubChem CID28714593
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](NCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-9(13-7-2-8-14)10-3-5-11(12)6-4-10/h3-6,9,13-14H,2,7-8H2,1H3/t9-/m0/s1
InChIKeyWZHAAEAVTMFYSW-VIFPVBQESA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
methyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butanoate
CID 81355093
N-[1-(4-chlorophenyl)ethyl]hex-5-yn-1-amine
CID 115693981
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81354649
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol (CID 28714593) is 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol is C[C@H](NCCCO)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol?
The InChIKey is WZHAAEAVTMFYSW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9(13-7-2-8-14)10-3-5-11(12)6-4-10/h3-6,9,13-14H,2,7-8H2,1H3/t9-/m0/s1.
What are the key properties of 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol?
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 28714593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).