(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine

C12H18BrN — CID 130731554

IUPAC(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCc1ccc([C@H](N)C(C)(C)C)cc1Br
InChIInChI=1S/C12H18BrN/c1-8-5-6-9(7-10(8)13)11(14)12(2,3)4/h5-7,11H,14H2,1-4H3/t11-/m0/s1
InChIKeyHLXQUQGIJBEXRB-NSHDSACASA-N
MW256.19 g/mol
LogP3.80
Rot. Bonds1

About (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine

(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130731554) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
PubChem CID130731554
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCc1ccc([C@H](N)C(C)(C)C)cc1Br
InChIInChI=1S/C12H18BrN/c1-8-5-6-9(7-10(8)13)11(14)12(2,3)4/h5-7,11H,14H2,1-4H3/t11-/m0/s1
InChIKeyHLXQUQGIJBEXRB-NSHDSACASA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 130043041
1-(3-bromo-4-methylphenyl)ethanamine
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CID 66515083
1-(3-bromo-4-methylphenyl)propane-1,2-diamine
CID 131002270
(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130634470
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine (CID 130731554) is (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine is Cc1ccc([C@H](N)C(C)(C)C)cc1Br.
What is the InChIKey of (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is HLXQUQGIJBEXRB-NSHDSACASA-N. The full InChI is InChI=1S/C12H18BrN/c1-8-5-6-9(7-10(8)13)11(14)12(2,3)4/h5-7,11H,14H2,1-4H3/t11-/m0/s1.
What are the key properties of (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130731554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).