N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine

C15H16BrN — CID 2396296

IUPACN-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrN/c1-12-2-4-13(5-3-12)10-17-11-14-6-8-15(16)9-7-14/h2-9,17H,10-11H2,1H3
InChIKeySRJWNSCVMXPKLC-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.05
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine

N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 2396296) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID2396296
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrN/c1-12-2-4-13(5-3-12)10-17-11-14-6-8-15(16)9-7-14/h2-9,17H,10-11H2,1H3
InChIKeySRJWNSCVMXPKLC-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine (CID 2396296) is N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is SRJWNSCVMXPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-12-2-4-13(5-3-12)10-17-11-14-6-8-15(16)9-7-14/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine?
N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 290.20 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 2396296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).