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

C11H16ClNO — CID 28715339

IUPAC3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](NCCCO)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-9(13-6-3-7-14)10-4-2-5-11(12)8-10/h2,4-5,8-9,13-14H,3,6-7H2,1H3/t9-/m0/s1
InChIKeyURHIPPOWVOXOPZ-VIFPVBQESA-N
MW213.71 g/mol
LogP2.37
Rot. Bonds5

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

3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol (PubChem CID 28715339) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
PubChem CID28715339
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](NCCCO)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-9(13-6-3-7-14)10-4-2-5-11(12)8-10/h2,4-5,8-9,13-14H,3,6-7H2,1H3/t9-/m0/s1
InChIKeyURHIPPOWVOXOPZ-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-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]butanoic acid
CID 81372584
N-[1-(3-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115899474
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81372354
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol (CID 28715339) is 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol is C[C@H](NCCCO)c1cccc(Cl)c1.
What is the InChIKey of 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol?
The InChIKey is URHIPPOWVOXOPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9(13-6-3-7-14)10-4-2-5-11(12)8-10/h2,4-5,8-9,13-14H,3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol?
3-[[(1S)-1-(3-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-(3-chlorophenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 28715339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).