[4-(3-bromo-2-methylphenyl)phenyl]methanamine

C14H14BrN — CID 140933850

IUPAC[4-(3-bromo-2-methylphenyl)phenyl]methanamine
SMILESCc1c(Br)cccc1-c1ccc(CN)cc1
InChIInChI=1S/C14H14BrN/c1-10-13(3-2-4-14(10)15)12-7-5-11(9-16)6-8-12/h2-8H,9,16H2,1H3
InChIKeyKPBKKKLPBDMSRX-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.88
Rot. Bonds2

About [4-(3-bromo-2-methylphenyl)phenyl]methanamine

[4-(3-bromo-2-methylphenyl)phenyl]methanamine (PubChem CID 140933850) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is [4-(3-bromo-2-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-bromo-2-methylphenyl)phenyl]methanamine
PubChem CID140933850
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name[4-(3-bromo-2-methylphenyl)phenyl]methanamine
SMILESCc1c(Br)cccc1-c1ccc(CN)cc1
InChIInChI=1S/C14H14BrN/c1-10-13(3-2-4-14(10)15)12-7-5-11(9-16)6-8-12/h2-8H,9,16H2,1H3
InChIKeyKPBKKKLPBDMSRX-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3-bromo-2-methylphenyl)phenoxy]acetaldehyde;ethane
CID 142459807
[4-(2-methylsulfonylphenyl)phenyl]methanamine
CID 15551924
[4-(3-methyl-4-phenyl-2-pyridinyl)phenyl]methanamine
CID 135146926
3-(3-bromo-2-methylphenyl)-2-methylphenol
CID 167107181
[3-(4-fluorophenyl)-2-methylphenyl]methanamine
CID 171364549
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
2-bromo-6-(4-propylphenyl)phenol
CID 162716525
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine
CID 115503542
1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine
CID 171934623
[4-(1,3-benzothiazol-4-yl)phenyl]methanamine
CID 174795026

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-2-methylphenyl)phenyl]methanamine?
The IUPAC name of [4-(3-bromo-2-methylphenyl)phenyl]methanamine (CID 140933850) is [4-(3-bromo-2-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [4-(3-bromo-2-methylphenyl)phenyl]methanamine?
The canonical SMILES for [4-(3-bromo-2-methylphenyl)phenyl]methanamine is Cc1c(Br)cccc1-c1ccc(CN)cc1.
What is the InChIKey of [4-(3-bromo-2-methylphenyl)phenyl]methanamine?
The InChIKey is KPBKKKLPBDMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-10-13(3-2-4-14(10)15)12-7-5-11(9-16)6-8-12/h2-8H,9,16H2,1H3.
What are the key properties of [4-(3-bromo-2-methylphenyl)phenyl]methanamine?
[4-(3-bromo-2-methylphenyl)phenyl]methanamine has a molecular weight of 276.18 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-2-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 140933850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).