1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol

C10H14ClNO — CID 55270715

IUPAC1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
SMILESCc1cccc(Cl)c1C(N)C(C)O
InChIInChI=1S/C10H14ClNO/c1-6-4-3-5-8(11)9(6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3
InChIKeyOXIKIRZZDGHCRZ-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.03
Rot. Bonds2

About 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol

1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol (PubChem CID 55270715) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
PubChem CID55270715
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
SMILESCc1cccc(Cl)c1C(N)C(C)O
InChIInChI=1S/C10H14ClNO/c1-6-4-3-5-8(11)9(6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3
InChIKeyOXIKIRZZDGHCRZ-UHFFFAOYSA-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,2S)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol
CID 131371288
(1S,2R)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171269988
(1S)-1-(2-chloro-6-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171250005
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
CID 130041488
(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol
CID 90430903
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 55264930
2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
CID 130059979
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol (CID 55270715) is 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol is Cc1cccc(Cl)c1C(N)C(C)O.
What is the InChIKey of 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol?
The InChIKey is OXIKIRZZDGHCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-4-3-5-8(11)9(6)10(12)7(2)13/h3-5,7,10,13H,12H2,1-2H3.
What are the key properties of 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol?
1-amino-1-(2-chloro-6-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 1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol is sourced from PubChem (CID 55270715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).