(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine

C10H14BrN — CID 131058214

IUPAC(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
SMILESCc1ccc(C[C@H](C)N)c(Br)c1
InChIInChI=1S/C10H14BrN/c1-7-3-4-9(6-8(2)12)10(11)5-7/h3-5,8H,6,12H2,1-2H3/t8-/m0/s1
InChIKeyZHKQSBMFABEXQB-QMMMGPOBSA-N
MW228.13 g/mol
LogP2.65
Rot. Bonds2

About (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine

(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine (PubChem CID 131058214) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
PubChem CID131058214
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
SMILESCc1ccc(C[C@H](C)N)c(Br)c1
InChIInChI=1S/C10H14BrN/c1-7-3-4-9(6-8(2)12)10(11)5-7/h3-5,8H,6,12H2,1-2H3/t8-/m0/s1
InChIKeyZHKQSBMFABEXQB-QMMMGPOBSA-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 ≤ 500228.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride
CID 170889223
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
3-(2-bromo-4-methylphenyl)-2-methylpropanoic acid
CID 83731619
2-(2-bromo-4-methylphenyl)acetamide
CID 158519264
(2S)-1-(2-bromo-4-nitrophenyl)propan-2-amine
CID 130039906
5-(2-bromo-4-methylphenyl)-4-methylpentan-2-one
CID 83924454
(2R)-1-(2-bromo-4-nitrophenyl)propan-2-amine
CID 130039432
(2S)-3-(2-bromo-4-methylphenyl)-2-chloropropanenitrile
CID 93195030
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]propan-2-amine
CID 114061019
methyl 2-(2-aminopropyl)-5-methylbenzoate
CID 91392427

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine?
The IUPAC name of (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine (CID 131058214) is (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine is Cc1ccc(C[C@H](C)N)c(Br)c1.
What is the InChIKey of (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine?
The InChIKey is ZHKQSBMFABEXQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-3-4-9(6-8(2)12)10(11)5-7/h3-5,8H,6,12H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine?
(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine has a molecular weight of 228.13 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 (2S)-1-(2-bromo-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 131058214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).