2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine

C15H24BrN — CID 79299281

IUPAC2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)c1ccccc1Br
InChIInChI=1S/C15H24BrN/c1-5-10-17-15(11(2)3)12(4)13-8-6-7-9-14(13)16/h6-9,11-12,15,17H,5,10H2,1-4H3
InChIKeyBUQHSNSNGPNIJU-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.58
Rot. Bonds6

About 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine

2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine (PubChem CID 79299281) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine
PubChem CID79299281
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)c1ccccc1Br
InChIInChI=1S/C15H24BrN/c1-5-10-17-15(11(2)3)12(4)13-8-6-7-9-14(13)16/h6-9,11-12,15,17H,5,10H2,1-4H3
InChIKeyBUQHSNSNGPNIJU-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine?
The IUPAC name of 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine (CID 79299281) is 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine?
The canonical SMILES for 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine is CCCNC(C(C)C)C(C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine?
The InChIKey is BUQHSNSNGPNIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-5-10-17-15(11(2)3)12(4)13-8-6-7-9-14(13)16/h6-9,11-12,15,17H,5,10H2,1-4H3.
What are the key properties of 2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine?
2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine has a molecular weight of 298.27 g/mol, XLogP of 4.58, 6 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-propylpentan-3-amine is sourced from PubChem (CID 79299281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).