(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine

C11H17N — CID 45072365

IUPAC(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc([C@H](N)C(C)C)c1
InChIInChI=1S/C11H17N/c1-8(2)11(12)10-6-4-5-9(3)7-10/h4-8,11H,12H2,1-3H3/t11-/m1/s1
InChIKeyIMVAKVFGEUFQCZ-LLVKDONJSA-N
MW163.26 g/mol
LogP2.65
Rot. Bonds2

About (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine

(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine (PubChem CID 45072365) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
PubChem CID45072365
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc([C@H](N)C(C)C)c1
InChIInChI=1S/C11H17N/c1-8(2)11(12)10-6-4-5-9(3)7-10/h4-8,11H,12H2,1-3H3/t11-/m1/s1
InChIKeyIMVAKVFGEUFQCZ-LLVKDONJSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945810
2-[amino-(3-methylphenyl)methyl]-3-methylbutanenitrile
CID 116946394
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311689
methyl 2-[amino-(3-methylphenyl)methyl]-3-methylbutanoate
CID 116946100
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
(1S,2R)-1-amino-5-methyl-1-(3-methylphenyl)hexan-2-ol
CID 171269761
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
CID 156724864
CID 156724864
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine?
The IUPAC name of (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine (CID 45072365) is (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine?
The canonical SMILES for (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine is Cc1cccc([C@H](N)C(C)C)c1.
What is the InChIKey of (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine?
The InChIKey is IMVAKVFGEUFQCZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)11(12)10-6-4-5-9(3)7-10/h4-8,11H,12H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine?
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 45072365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).