N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

C19H24BrN — CID 43221361

IUPACN-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCc2ccccc2Br)cc1
InChIInChI=1S/C19H24BrN/c1-14(2)12-16-8-10-17(11-9-16)15(3)21-13-18-6-4-5-7-19(18)20/h4-11,14-15,21H,12-13H2,1-3H3
InChIKeyVOBSKHWNHDNIMB-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.50
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 43221361) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID43221361
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCc2ccccc2Br)cc1
InChIInChI=1S/C19H24BrN/c1-14(2)12-16-8-10-17(11-9-16)15(3)21-13-18-6-4-5-7-19(18)20/h4-11,14-15,21H,12-13H2,1-3H3
InChIKeyVOBSKHWNHDNIMB-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950405
[4-[1-[(2-bromophenyl)methylamino]ethyl]phenyl]urea
CID 43750000
2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 107597117
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
2-[4-[1-[(2-bromophenyl)methylamino]ethyl]phenoxy]acetonitrile
CID 61402110
ethyl 4-[(1S)-1-[(2-bromophenyl)methylamino]ethyl]benzoate
CID 172883068
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
N-[(2-bromophenyl)methyl]-1-(5-chlorothiophen-3-yl)ethanamine
CID 102976521
2-bromo-6-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81350041

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 43221361) is N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(C)NCc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is VOBSKHWNHDNIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-14(2)12-16-8-10-17(11-9-16)15(3)21-13-18-6-4-5-7-19(18)20/h4-11,14-15,21H,12-13H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.50, 6 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-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 43221361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).