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

C10H14ClNO — CID 61054421

IUPAC2-amino-2-(3-chlorophenyl)butan-1-ol
SMILESCCC(N)(CO)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-2-10(12,7-13)8-4-3-5-9(11)6-8/h3-6,13H,2,7,12H2,1H3
InChIKeyQHTFNTYGMLDTRF-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.90
Rot. Bonds3

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

2-amino-2-(3-chlorophenyl)butan-1-ol (PubChem CID 61054421) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-amino-2-(3-chlorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-2-(3-chlorophenyl)butan-1-ol
PubChem CID61054421
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-amino-2-(3-chlorophenyl)butan-1-ol
SMILESCCC(N)(CO)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-2-10(12,7-13)8-4-3-5-9(11)6-8/h3-6,13H,2,7,12H2,1H3
InChIKeyQHTFNTYGMLDTRF-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 2-amino-2-(3-chlorophenyl)butan-1-ol?
The IUPAC name of 2-amino-2-(3-chlorophenyl)butan-1-ol (CID 61054421) is 2-amino-2-(3-chlorophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-2-(3-chlorophenyl)butan-1-ol?
The canonical SMILES for 2-amino-2-(3-chlorophenyl)butan-1-ol is CCC(N)(CO)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-2-(3-chlorophenyl)butan-1-ol?
The InChIKey is QHTFNTYGMLDTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-10(12,7-13)8-4-3-5-9(11)6-8/h3-6,13H,2,7,12H2,1H3.
What are the key properties of 2-amino-2-(3-chlorophenyl)butan-1-ol?
2-amino-2-(3-chlorophenyl)butan-1-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 2-amino-2-(3-chlorophenyl)butan-1-ol is sourced from PubChem (CID 61054421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).