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

C11H16ClN — CID 55273772

IUPAC(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc([C@H](N)C(C)C)c(Cl)c1
InChIInChI=1S/C11H16ClN/c1-7(2)11(13)9-5-4-8(3)6-10(9)12/h4-7,11H,13H2,1-3H3/t11-/m1/s1
InChIKeyYTLSEIBSMLDFIE-LLVKDONJSA-N
MW197.71 g/mol
LogP3.30
Rot. Bonds2

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

(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine (PubChem CID 55273772) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
PubChem CID55273772
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc([C@H](N)C(C)C)c(Cl)c1
InChIInChI=1S/C11H16ClN/c1-7(2)11(13)9-5-4-8(3)6-10(9)12/h4-7,11H,13H2,1-3H3/t11-/m1/s1
InChIKeyYTLSEIBSMLDFIE-LLVKDONJSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
(1S)-1-(2-chloro-4-methylphenyl)-3-methylbutan-1-amine
CID 99737671
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131398448
(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol
CID 147216936
2-(2-chloro-4-methylphenyl)propan-1-ol
CID 117279955
(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
1-(2-chloro-4-methylphenyl)but-3-yn-1-amine
CID 106856843

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine (CID 55273772) is (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine is Cc1ccc([C@H](N)C(C)C)c(Cl)c1.
What is the InChIKey of (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is YTLSEIBSMLDFIE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16ClN/c1-7(2)11(13)9-5-4-8(3)6-10(9)12/h4-7,11H,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine?
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 55273772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).