N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine

C17H20BrN — CID 78950405

IUPACN-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2ccccc2Br)c1
InChIInChI=1S/C17H20BrN/c1-12-8-13(2)10-16(9-12)14(3)19-11-15-6-4-5-7-17(15)18/h4-10,14,19H,11H2,1-3H3
InChIKeyQQTLKJBZWVDGCQ-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.92
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine

N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 78950405) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
PubChem CID78950405
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2ccccc2Br)c1
InChIInChI=1S/C17H20BrN/c1-12-8-13(2)10-16(9-12)14(3)19-11-15-6-4-5-7-17(15)18/h4-10,14,19H,11H2,1-3H3
InChIKeyQQTLKJBZWVDGCQ-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43221361
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
N-[(2-bromophenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 63454939
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
N-[(2-bromophenyl)methyl]-1-(5-chlorothiophen-3-yl)ethanamine
CID 102976521
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
2-bromo-6-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81350041
ethyl 4-[(1S)-1-[(2-bromophenyl)methylamino]ethyl]benzoate
CID 172883068
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
[4-[1-[(2-bromophenyl)methylamino]ethyl]phenyl]urea
CID 43750000

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine (CID 78950405) is N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(C)NCc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is QQTLKJBZWVDGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-8-13(2)10-16(9-12)14(3)19-11-15-6-4-5-7-17(15)18/h4-10,14,19H,11H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine?
N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 78950405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).