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

C15H24BrN — CID 79438543

IUPAC2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-5-14(11-17-10-12(2)3)13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyHDQATDCMTSDAMF-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.58
Rot. Bonds7

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

2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 79438543) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID79438543
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-5-14(11-17-10-12(2)3)13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyHDQATDCMTSDAMF-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
CID 104649474
2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine
CID 79441623
2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
CID 79438678
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070
N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 82870027
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
2-(4-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617831
2-(3-bromophenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107887110

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine (CID 79438543) is 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine is CCCC(CNCC(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is HDQATDCMTSDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-5-14(11-17-10-12(2)3)13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine?
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 79438543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).