2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine

C16H26BrN — CID 79448646

IUPAC2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCC(CC(C)C)c1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-12(2)9-14(11-18-10-13(3)4)15-7-5-6-8-16(15)17/h5-8,12-14,18H,9-11H2,1-4H3
InChIKeyRNNOHQMLDZFSPW-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.82
Rot. Bonds7

About 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine

2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 79448646) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID79448646
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCC(CC(C)C)c1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-12(2)9-14(11-18-10-13(3)4)15-7-5-6-8-16(15)17/h5-8,12-14,18H,9-11H2,1-4H3
InChIKeyRNNOHQMLDZFSPW-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930865
N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
CID 66436074
N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 79448721
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036952
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
CID 82936298
[1-(2-bromophenyl)-3-methylbutyl]hydrazine
CID 105208508
2-(2-bromophenyl)-5-methyl-N-propan-2-ylhexan-1-amine
CID 79449223
2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 79449044
2-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one
CID 141224768

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine (CID 79448646) is 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCC(CC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is RNNOHQMLDZFSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-12(2)9-14(11-18-10-13(3)4)15-7-5-6-8-16(15)17/h5-8,12-14,18H,9-11H2,1-4H3.
What are the key properties of 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine?
2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 312.30 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 79448646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).