2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol

C10H14ClNO — CID 3048993

IUPAC2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(N)(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3
InChIKeyGURNLHOWJJMNAR-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol

2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol (PubChem CID 3048993) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol
PubChem CID3048993
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(N)(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3
InChIKeyGURNLHOWJJMNAR-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol (CID 3048993) is 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol is CC(N)(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol?
The InChIKey is GURNLHOWJJMNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3.
What are the key properties of 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol?
2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 3048993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).