1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol

C16H18ClNO2 — CID 57044093

IUPAC1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol
SMILESCC(Oc1ccccc1)(c1ccccc1Cl)C(O)CN
InChIInChI=1S/C16H18ClNO2/c1-16(15(19)11-18,13-9-5-6-10-14(13)17)20-12-7-3-2-4-8-12/h2-10,15,19H,11,18H2,1H3
InChIKeyOUNUDSDWHOPKQJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.95
Rot. Bonds5

About 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol

1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol (PubChem CID 57044093) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol
PubChem CID57044093
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol
SMILESCC(Oc1ccccc1)(c1ccccc1Cl)C(O)CN
InChIInChI=1S/C16H18ClNO2/c1-16(15(19)11-18,13-9-5-6-10-14(13)17)20-12-7-3-2-4-8-12/h2-10,15,19H,11,18H2,1H3
InChIKeyOUNUDSDWHOPKQJ-UHFFFAOYSA-N
XLogP2.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine
CID 105469303
2-methyl-2-phenoxypentan-3-ol
CID 54041367
2-(2-chlorophenyl)-4-phenoxybutan-2-amine
CID 55096015
ethyl (2S)-3-bromo-2-(2-chlorophenyl)-3-oxo-2-phenoxypropanoate
CID 87534361
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate
CID 15766824
4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
CID 140625468
2-(2-chlorophenyl)propan-2-ol
CID 12759846
3,3-dimethyl-1-phenoxybutan-2-ol;ethane
CID 162239037
3-methyl-3-phenoxypentane-1,2-diol
CID 174459303
1-chloro-1-phenoxyethanol
CID 66681023
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
CID 105469306

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol?
The IUPAC name of 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol (CID 57044093) is 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol.
What is the SMILES notation for 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol?
The canonical SMILES for 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol is CC(Oc1ccccc1)(c1ccccc1Cl)C(O)CN.
What is the InChIKey of 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol?
The InChIKey is OUNUDSDWHOPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-16(15(19)11-18,13-9-5-6-10-14(13)17)20-12-7-3-2-4-8-12/h2-10,15,19H,11,18H2,1H3.
What are the key properties of 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol?
1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol has a molecular weight of 291.78 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chlorophenyl)-3-phenoxybutan-2-ol is sourced from PubChem (CID 57044093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).