(1R)-1-(2,4-dimethylphenyl)propan-1-amine

C11H17N — CID 7176017

IUPAC(1R)-1-(2,4-dimethylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(C)cc1C
InChIInChI=1S/C11H17N/c1-4-11(12)10-6-5-8(2)7-9(10)3/h5-7,11H,4,12H2,1-3H3/t11-/m1/s1
InChIKeyCUMKAEFZXDVXGM-LLVKDONJSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds2

About (1R)-1-(2,4-dimethylphenyl)propan-1-amine

(1R)-1-(2,4-dimethylphenyl)propan-1-amine (PubChem CID 7176017) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1R)-1-(2,4-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,4-dimethylphenyl)propan-1-amine
PubChem CID7176017
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1R)-1-(2,4-dimethylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(C)cc1C
InChIInChI=1S/C11H17N/c1-4-11(12)10-6-5-8(2)7-9(10)3/h5-7,11H,4,12H2,1-3H3/t11-/m1/s1
InChIKeyCUMKAEFZXDVXGM-LLVKDONJSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
1-(2,4-dimethylphenyl)-2-octoxyethanamine
CID 43127891
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dimethylphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(2,4-dimethylphenyl)propan-1-amine (CID 7176017) is (1R)-1-(2,4-dimethylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(2,4-dimethylphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(2,4-dimethylphenyl)propan-1-amine is CC[C@@H](N)c1ccc(C)cc1C.
What is the InChIKey of (1R)-1-(2,4-dimethylphenyl)propan-1-amine?
The InChIKey is CUMKAEFZXDVXGM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N/c1-4-11(12)10-6-5-8(2)7-9(10)3/h5-7,11H,4,12H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2,4-dimethylphenyl)propan-1-amine?
(1R)-1-(2,4-dimethylphenyl)propan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 7176017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).