bromo-(4-methylphenyl)methanamine

C8H10BrN — CID 22286716

IUPACbromo-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)Br)cc1
InChIInChI=1S/C8H10BrN/c1-6-2-4-7(5-3-6)8(9)10/h2-5,8H,10H2,1H3
InChIKeyITLXLPXXGBVXDU-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.35
Rot. Bonds1

About bromo-(4-methylphenyl)methanamine

bromo-(4-methylphenyl)methanamine (PubChem CID 22286716) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is bromo-(4-methylphenyl)methanamine.

Molecular Properties

Compound Namebromo-(4-methylphenyl)methanamine
PubChem CID22286716
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Namebromo-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)Br)cc1
InChIInChI=1S/C8H10BrN/c1-6-2-4-7(5-3-6)8(9)10/h2-5,8H,10H2,1H3
InChIKeyITLXLPXXGBVXDU-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

amino-(4-methylphenyl)methanol
CID 70304176
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
bromo(phenyl)methanamine;hydroiodide
CID 175393432
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
N-[amino-(4-methylphenyl)methyl]hydroxylamine
CID 142151488
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
1-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
1-(1-bromo-2-ethylbutyl)-4-methylbenzene
CID 63437265

Frequently Asked Questions

What is the IUPAC name of bromo-(4-methylphenyl)methanamine?
The IUPAC name of bromo-(4-methylphenyl)methanamine (CID 22286716) is bromo-(4-methylphenyl)methanamine.
What is the SMILES notation for bromo-(4-methylphenyl)methanamine?
The canonical SMILES for bromo-(4-methylphenyl)methanamine is Cc1ccc(C(N)Br)cc1.
What is the InChIKey of bromo-(4-methylphenyl)methanamine?
The InChIKey is ITLXLPXXGBVXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-2-4-7(5-3-6)8(9)10/h2-5,8H,10H2,1H3.
What are the key properties of bromo-(4-methylphenyl)methanamine?
bromo-(4-methylphenyl)methanamine has a molecular weight of 200.08 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(4-methylphenyl)methanamine is sourced from PubChem (CID 22286716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).