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

C11H17N — CID 42325732

IUPAC(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C[C@@H](C)CN)c1
InChIInChI=1S/C11H17N/c1-9-4-3-5-11(6-9)7-10(2)8-12/h3-6,10H,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyQDYRZRSOIXMBOD-SNVBAGLBSA-N
MW163.26 g/mol
LogP2.13
Rot. Bonds3

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

(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 42325732) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
PubChem CID42325732
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C[C@@H](C)CN)c1
InChIInChI=1S/C11H17N/c1-9-4-3-5-11(6-9)7-10(2)8-12/h3-6,10H,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyQDYRZRSOIXMBOD-SNVBAGLBSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylpentyl)-3-methylbenzene
CID 159383245
2-methyl-3-phenylpropan-1-amine
CID 12672558
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene
CID 159443260
4-methyl-5-(3-methylphenyl)pent-1-en-1-ol
CID 174388605
(3R)-3-methyl-4-(3-methylphenyl)butanoate
CID 6954497
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-(aminomethyl)-3-(3-methylphenyl)propanamide
CID 43148279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine (CID 42325732) is (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine is Cc1cccc(C[C@@H](C)CN)c1.
What is the InChIKey of (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is QDYRZRSOIXMBOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N/c1-9-4-3-5-11(6-9)7-10(2)8-12/h3-6,10H,7-8,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine?
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 42325732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).