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

C16H18ClNO2 — CID 168636481

IUPAC1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
SMILESOC(CCl)CNc1ccccc1OCc1ccccc1
InChIInChI=1S/C16H18ClNO2/c17-10-14(19)11-18-15-8-4-5-9-16(15)20-12-13-6-2-1-3-7-13/h1-9,14,18-19H,10-12H2
InChIKeyDVTONZOKXLANGL-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.28
Rot. Bonds7

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

1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol (PubChem CID 168636481) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
PubChem CID168636481
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
SMILESOC(CCl)CNc1ccccc1OCc1ccccc1
InChIInChI=1S/C16H18ClNO2/c17-10-14(19)11-18-15-8-4-5-9-16(15)20-12-13-6-2-1-3-7-13/h1-9,14,18-19H,10-12H2
InChIKeyDVTONZOKXLANGL-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_E(1)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(3-chloro-2-hydroxypropyl)amino]-2-hydroxy-4-phenylmethoxyphenyl]ethanone
CID 168638947
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
methyl 3-bromo-4-[(3-chloro-2-hydroxypropyl)amino]-5-phenylmethoxybenzoate
CID 168638405
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
2-(2-phenylmethoxyanilino)-N-propan-2-ylacetamide
CID 54828083
1-chloro-3-[2-(2-pyrazol-1-ylethoxy)anilino]propan-2-ol
CID 168638956
1-chloro-3-[2-(2-phenoxyethylamino)anilino]propan-2-ol
CID 168637327
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
1-anilino-3-chloropropan-2-ol
CID 3640254
1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
CID 54828242
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828582
2-(2-chlorophenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093502

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol (CID 168636481) is 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol is OC(CCl)CNc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol?
The InChIKey is DVTONZOKXLANGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-10-14(19)11-18-15-8-4-5-9-16(15)20-12-13-6-2-1-3-7-13/h1-9,14,18-19H,10-12H2.
What are the key properties of 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol?
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol has a molecular weight of 291.78 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol is sourced from PubChem (CID 168636481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).