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

C15H16ClNO2 — CID 168636658

IUPAC1-chloro-3-(3-phenoxyanilino)propan-2-ol
SMILESOC(CCl)CNc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H16ClNO2/c16-10-13(18)11-17-12-5-4-8-15(9-12)19-14-6-2-1-3-7-14/h1-9,13,17-18H,10-11H2
InChIKeyUHMXWYVWNVLZSF-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.49
Rot. Bonds6

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

1-chloro-3-(3-phenoxyanilino)propan-2-ol (PubChem CID 168636658) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-chloro-3-(3-phenoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-phenoxyanilino)propan-2-ol
PubChem CID168636658
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-chloro-3-(3-phenoxyanilino)propan-2-ol
SMILESOC(CCl)CNc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H16ClNO2/c16-10-13(18)11-17-12-5-4-8-15(9-12)19-14-6-2-1-3-7-14/h1-9,13,17-18H,10-11H2
InChIKeyUHMXWYVWNVLZSF-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-ethoxyanilino)propan-2-ol
CID 168636629
1-anilino-3-chloropropan-2-ol
CID 3640254
1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol
CID 168639837
5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one
CID 175538785
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide
CID 168639757
1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol
CID 168639978
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
CID 168636757
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
5-[1-hydroxy-2-(3-phenoxyanilino)ethyl]-3H-1,3-oxazole-2-thione
CID 175538760
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-phenoxyanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(3-phenoxyanilino)propan-2-ol (CID 168636658) is 1-chloro-3-(3-phenoxyanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-phenoxyanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3-phenoxyanilino)propan-2-ol is OC(CCl)CNc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-chloro-3-(3-phenoxyanilino)propan-2-ol?
The InChIKey is UHMXWYVWNVLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-10-13(18)11-17-12-5-4-8-15(9-12)19-14-6-2-1-3-7-14/h1-9,13,17-18H,10-11H2.
What are the key properties of 1-chloro-3-(3-phenoxyanilino)propan-2-ol?
1-chloro-3-(3-phenoxyanilino)propan-2-ol has a molecular weight of 277.75 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-phenoxyanilino)propan-2-ol is sourced from PubChem (CID 168636658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).