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

C10H14ClNO — CID 62773573

IUPAC1-amino-2-(3-chlorophenyl)butan-2-ol
SMILESCCC(O)(CN)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-2-10(13,7-12)8-4-3-5-9(11)6-8/h3-6,13H,2,7,12H2,1H3
InChIKeyBTLFNLAMLQYURT-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.90
Rot. Bonds3

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

1-amino-2-(3-chlorophenyl)butan-2-ol (PubChem CID 62773573) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-amino-2-(3-chlorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-(3-chlorophenyl)butan-2-ol
PubChem CID62773573
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-amino-2-(3-chlorophenyl)butan-2-ol
SMILESCCC(O)(CN)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-2-10(13,7-12)8-4-3-5-9(11)6-8/h3-6,13H,2,7,12H2,1H3
InChIKeyBTLFNLAMLQYURT-UHFFFAOYSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-chlorophenyl)butan-2-ol?
The IUPAC name of 1-amino-2-(3-chlorophenyl)butan-2-ol (CID 62773573) is 1-amino-2-(3-chlorophenyl)butan-2-ol.
What is the SMILES notation for 1-amino-2-(3-chlorophenyl)butan-2-ol?
The canonical SMILES for 1-amino-2-(3-chlorophenyl)butan-2-ol is CCC(O)(CN)c1cccc(Cl)c1.
What is the InChIKey of 1-amino-2-(3-chlorophenyl)butan-2-ol?
The InChIKey is BTLFNLAMLQYURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-10(13,7-12)8-4-3-5-9(11)6-8/h3-6,13H,2,7,12H2,1H3.
What are the key properties of 1-amino-2-(3-chlorophenyl)butan-2-ol?
1-amino-2-(3-chlorophenyl)butan-2-ol has a molecular weight of 199.68 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-chlorophenyl)butan-2-ol is sourced from PubChem (CID 62773573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).