2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine

C15H24BrN — CID 79438678

IUPAC2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNCC(CC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-9-17-11-14(10-12(2)3)13-5-7-15(16)8-6-13/h5-8,12,14,17H,4,9-11H2,1-3H3
InChIKeyDPSUDTFNGDAPQY-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine

2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine (PubChem CID 79438678) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
PubChem CID79438678
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNCC(CC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-9-17-11-14(10-12(2)3)13-5-7-15(16)8-6-13/h5-8,12,14,17H,4,9-11H2,1-3H3
InChIKeyDPSUDTFNGDAPQY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine
CID 103984791
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine
CID 79441623
2-(4-bromophenyl)-3-(4-iodophenyl)-N-propylpropan-1-amine
CID 79431636
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
2-(4-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
N-[2-(4-bromophenyl)-2-(2-methylpentoxy)ethyl]propan-1-amine
CID 103285218

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine (CID 79438678) is 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine is CCCNCC(CC(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is DPSUDTFNGDAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-9-17-11-14(10-12(2)3)13-5-7-15(16)8-6-13/h5-8,12,14,17H,4,9-11H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine?
2-(4-bromophenyl)-4-methyl-N-propylpentan-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)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 79438678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).