1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine

C15H24BrN — CID 55186607

IUPAC1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-10-17-15(11-12(3)5-2)13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyCCQIDUQZGDAWFP-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.93
Rot. Bonds7

About 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine

1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 55186607) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID55186607
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-4-10-17-15(11-12(3)5-2)13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyCCQIDUQZGDAWFP-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210
1-bromo-4-(1-chloro-3-methylpentyl)benzene
CID 114875996
N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
CID 105138285
3-methyl-1-(4-methylsulfanylphenyl)-N-propylhexan-1-amine
CID 115845374
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine (CID 55186607) is 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is CCQIDUQZGDAWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-10-17-15(11-12(3)5-2)13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine?
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 55186607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).