2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine

C15H24BrN — CID 63522949

IUPAC2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-13(11-17-10-12(2)3)9-14-5-7-15(16)8-6-14/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyMEMGQCPQULJQSY-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.26
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine

2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine (PubChem CID 63522949) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
PubChem CID63522949
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-13(11-17-10-12(2)3)9-14-5-7-15(16)8-6-14/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyMEMGQCPQULJQSY-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 62516439
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
CID 114173520
2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62516264
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63496906
2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521367
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
N-[1-(4-bromophenyl)-2,3-dideuteriopropan-2-yl]-N-deuterio-2-methylpropan-1-amine
CID 54166151

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine (CID 63522949) is 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is MEMGQCPQULJQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-13(11-17-10-12(2)3)9-14-5-7-15(16)8-6-14/h5-8,12-13,17H,4,9-11H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63522949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).