1-chloro-3-(1-phenylethylamino)propan-2-ol

C11H16ClNO — CID 14089777

IUPAC1-chloro-3-(1-phenylethylamino)propan-2-ol
SMILESCC(NCC(O)CCl)c1ccccc1
InChIInChI=1S/C11H16ClNO/c1-9(13-8-11(14)7-12)10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3
InChIKeyYSIOLUCTZPCEGI-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.94
Rot. Bonds5

About 1-chloro-3-(1-phenylethylamino)propan-2-ol

1-chloro-3-(1-phenylethylamino)propan-2-ol (PubChem CID 14089777) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-chloro-3-(1-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(1-phenylethylamino)propan-2-ol
PubChem CID14089777
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-chloro-3-(1-phenylethylamino)propan-2-ol
SMILESCC(NCC(O)CCl)c1ccccc1
InChIInChI=1S/C11H16ClNO/c1-9(13-8-11(14)7-12)10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3
InChIKeyYSIOLUCTZPCEGI-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-phenylethylamino)propan-2-ol?
The IUPAC name of 1-chloro-3-(1-phenylethylamino)propan-2-ol (CID 14089777) is 1-chloro-3-(1-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(1-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(1-phenylethylamino)propan-2-ol is CC(NCC(O)CCl)c1ccccc1.
What is the InChIKey of 1-chloro-3-(1-phenylethylamino)propan-2-ol?
The InChIKey is YSIOLUCTZPCEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9(13-8-11(14)7-12)10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3.
What are the key properties of 1-chloro-3-(1-phenylethylamino)propan-2-ol?
1-chloro-3-(1-phenylethylamino)propan-2-ol has a molecular weight of 213.71 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-phenylethylamino)propan-2-ol is sourced from PubChem (CID 14089777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).