(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine

C12H18ClN — CID 130804178

IUPAC(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(Cl)cc1C
InChIInChI=1S/C12H18ClN/c1-4-8(2)12(14)11-6-5-10(13)7-9(11)3/h5-8,12H,4,14H2,1-3H3/t8?,12-/m1/s1
InChIKeyUUAZRNHUNPDOTF-LESKNEHBSA-N
MW211.74 g/mol
LogP3.69
Rot. Bonds3

About (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine

(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine (PubChem CID 130804178) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
PubChem CID130804178
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(Cl)cc1C
InChIInChI=1S/C12H18ClN/c1-4-8(2)12(14)11-6-5-10(13)7-9(11)3/h5-8,12H,4,14H2,1-3H3/t8?,12-/m1/s1
InChIKeyUUAZRNHUNPDOTF-LESKNEHBSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264584
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-3-methylpentan-2-ol
CID 171265293
(1R)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171204039
(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313878
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine (CID 130804178) is (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1ccc(Cl)cc1C.
What is the InChIKey of (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine?
The InChIKey is UUAZRNHUNPDOTF-LESKNEHBSA-N. The full InChI is InChI=1S/C12H18ClN/c1-4-8(2)12(14)11-6-5-10(13)7-9(11)3/h5-8,12H,4,14H2,1-3H3/t8?,12-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine?
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine has a molecular weight of 211.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 130804178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).