(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine

C12H19N — CID 93312698

IUPAC(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc([C@H](N)C(C)(C)C)c1
InChIInChI=1S/C12H19N/c1-9-6-5-7-10(8-9)11(13)12(2,3)4/h5-8,11H,13H2,1-4H3/t11-/m0/s1
InChIKeyYNRFBIYHHSTFGJ-NSHDSACASA-N
MW177.29 g/mol
LogP3.04
Rot. Bonds1

About (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine

(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine (PubChem CID 93312698) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
PubChem CID93312698
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc([C@H](N)C(C)(C)C)c1
InChIInChI=1S/C12H19N/c1-9-6-5-7-10(8-9)11(13)12(2,3)4/h5-8,11H,13H2,1-4H3/t11-/m0/s1
InChIKeyYNRFBIYHHSTFGJ-NSHDSACASA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 64769920
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
tert-butyl (3S)-3-amino-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 125455376
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
CID 156724864
CID 156724864
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
CID 116936648
methoxy-(3-methylphenyl)methanamine
CID 116947345
3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311689

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine (CID 93312698) is (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine is Cc1cccc([C@H](N)C(C)(C)C)c1.
What is the InChIKey of (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine?
The InChIKey is YNRFBIYHHSTFGJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N/c1-9-6-5-7-10(8-9)11(13)12(2,3)4/h5-8,11H,13H2,1-4H3/t11-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine?
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 93312698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).