[2-bromo-5-(3-methylphenyl)phenyl]methanamine

C14H14BrN — CID 115051058

IUPAC[2-bromo-5-(3-methylphenyl)phenyl]methanamine
SMILESCc1cccc(-c2ccc(Br)c(CN)c2)c1
InChIInChI=1S/C14H14BrN/c1-10-3-2-4-11(7-10)12-5-6-14(15)13(8-12)9-16/h2-8H,9,16H2,1H3
InChIKeySTKWENPXLAWJFA-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.88
Rot. Bonds2

About [2-bromo-5-(3-methylphenyl)phenyl]methanamine

[2-bromo-5-(3-methylphenyl)phenyl]methanamine (PubChem CID 115051058) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is [2-bromo-5-(3-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-5-(3-methylphenyl)phenyl]methanamine
PubChem CID115051058
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name[2-bromo-5-(3-methylphenyl)phenyl]methanamine
SMILESCc1cccc(-c2ccc(Br)c(CN)c2)c1
InChIInChI=1S/C14H14BrN/c1-10-3-2-4-11(7-10)12-5-6-14(15)13(8-12)9-16/h2-8H,9,16H2,1H3
InChIKeySTKWENPXLAWJFA-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

1-bromo-2-methoxy-4-(3-methylphenyl)benzene
CID 164895138
[2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine
CID 150091384
2-[3-(aminomethyl)-4-bromophenyl]phenol
CID 115051252
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
methanamine;1-methyl-3-phenylbenzene
CID 145414985
[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine
CID 105487158
[2-methyl-5-(4-methylphenyl)phenyl]methanamine
CID 115027522

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(3-methylphenyl)phenyl]methanamine?
The IUPAC name of [2-bromo-5-(3-methylphenyl)phenyl]methanamine (CID 115051058) is [2-bromo-5-(3-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-5-(3-methylphenyl)phenyl]methanamine?
The canonical SMILES for [2-bromo-5-(3-methylphenyl)phenyl]methanamine is Cc1cccc(-c2ccc(Br)c(CN)c2)c1.
What is the InChIKey of [2-bromo-5-(3-methylphenyl)phenyl]methanamine?
The InChIKey is STKWENPXLAWJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-10-3-2-4-11(7-10)12-5-6-14(15)13(8-12)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [2-bromo-5-(3-methylphenyl)phenyl]methanamine?
[2-bromo-5-(3-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 [2-bromo-5-(3-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 115051058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).