(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol

C10H14ClNO — CID 67017142

IUPAC(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol
SMILESCC[C@@H](O)Cc1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClNO/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5,12H2,1H3/t9-/m1/s1
InChIKeyTWBFCHPJUAIVQT-SECBINFHSA-N
MW199.68 g/mol
LogP2.24
Rot. Bonds3

About (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol

(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol (PubChem CID 67017142) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol
PubChem CID67017142
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol
SMILESCC[C@@H](O)Cc1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClNO/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5,12H2,1H3/t9-/m1/s1
InChIKeyTWBFCHPJUAIVQT-SECBINFHSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2-amino-4-chlorophenyl)propan-2-one
CID 118813133
5-chloro-2-(2-methylprop-2-enyl)aniline
CID 130018936
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
2-[(2-amino-4-chlorophenyl)methylsulfanyl]propanoic acid
CID 154087827
1-(4-chloro-2-fluorophenyl)-4-ethylsulfanylbutan-2-ol
CID 114852759
5-chloro-2-(propan-2-ylsulfanylmethyl)aniline
CID 62100769
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol?
The IUPAC name of (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol (CID 67017142) is (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol.
What is the SMILES notation for (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol?
The canonical SMILES for (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol is CC[C@@H](O)Cc1ccc(Cl)cc1N.
What is the InChIKey of (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol?
The InChIKey is TWBFCHPJUAIVQT-SECBINFHSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5,12H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol?
(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol has a molecular weight of 199.68 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-amino-4-chlorophenyl)butan-2-ol is sourced from PubChem (CID 67017142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).