(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol

C10H14ClNO — CID 130610740

IUPAC(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
SMILESCc1cc(Cl)ccc1[C@@H](N)[C@@H](C)O
InChIInChI=1S/C10H14ClNO/c1-6-5-8(11)3-4-9(6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7-,10+/m1/s1
InChIKeyTVIZKHYDNFUQMC-XCBNKYQSSA-N
MW199.68 g/mol
LogP2.03
Rot. Bonds2

About (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol

(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol (PubChem CID 130610740) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
PubChem CID130610740
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
SMILESCc1cc(Cl)ccc1[C@@H](N)[C@@H](C)O
InChIInChI=1S/C10H14ClNO/c1-6-5-8(11)3-4-9(6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7-,10+/m1/s1
InChIKeyTVIZKHYDNFUQMC-XCBNKYQSSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
(1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264584
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol (CID 130610740) is (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol is Cc1cc(Cl)ccc1[C@@H](N)[C@@H](C)O.
What is the InChIKey of (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol?
The InChIKey is TVIZKHYDNFUQMC-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-5-8(11)3-4-9(6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3/t7-,10+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol?
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol has a molecular weight of 199.68 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 130610740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).