1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine

C11H16BrN — CID 82477672

IUPAC1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
SMILESCc1cc(Br)ccc1C(N)C(C)C
InChIInChI=1S/C11H16BrN/c1-7(2)11(13)10-5-4-9(12)6-8(10)3/h4-7,11H,13H2,1-3H3
InChIKeyXPTJUWDZJHODRM-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.41
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine

1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine (PubChem CID 82477672) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
PubChem CID82477672
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
SMILESCc1cc(Br)ccc1C(N)C(C)C
InChIInChI=1S/C11H16BrN/c1-7(2)11(13)10-5-4-9(12)6-8(10)3/h4-7,11H,13H2,1-3H3
InChIKeyXPTJUWDZJHODRM-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
CID 105028683
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
2-[amino-(5-bromo-2-methylphenyl)methyl]-3-methylbutanenitrile
CID 116946388
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
azane;4-bromo-2-methylaniline
CID 175038668
3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
CID 103083620

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine (CID 82477672) is 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine is Cc1cc(Br)ccc1C(N)C(C)C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is XPTJUWDZJHODRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-7(2)11(13)10-5-4-9(12)6-8(10)3/h4-7,11H,13H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine?
1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 82477672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).