4-bromo-N-(6-methylhept-2-en-3-yl)aniline

C14H20BrN — CID 151695650

IUPAC4-bromo-N-(6-methylhept-2-en-3-yl)aniline
SMILESCC=C(CCC(C)C)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-4-13(8-5-11(2)3)16-14-9-6-12(15)7-10-14/h4,6-7,9-11,16H,5,8H2,1-3H3
InChIKeyRDMNNALQUHPAOC-UHFFFAOYSA-N
MW282.23 g/mol
LogP5.20
Rot. Bonds5

About 4-bromo-N-(6-methylhept-2-en-3-yl)aniline

4-bromo-N-(6-methylhept-2-en-3-yl)aniline (PubChem CID 151695650) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 4-bromo-N-(6-methylhept-2-en-3-yl)aniline.

Molecular Properties

Compound Name4-bromo-N-(6-methylhept-2-en-3-yl)aniline
PubChem CID151695650
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name4-bromo-N-(6-methylhept-2-en-3-yl)aniline
SMILESCC=C(CCC(C)C)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-4-13(8-5-11(2)3)16-14-9-6-12(15)7-10-14/h4,6-7,9-11,16H,5,8H2,1-3H3
InChIKeyRDMNNALQUHPAOC-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.23
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-(6-methylhept-2-en-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(4-bromoanilino)-6-methylhept-2-enoic acid
CID 118279651
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
1-(4-bromophenyl)-3-(6-methylheptan-2-yl)thiourea
CID 19652386
N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
CID 108951809
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
(E)-1-(4-bromophenyl)-3-(4-hydroxyanilino)pent-3-en-1-one
CID 2267232
2-bromo-N-(4-bromophenyl)but-2-enamide
CID 54554257
5-[(4-bromophenyl)carbamoylamino]hexanoic acid
CID 82846118
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056207
5-(4-bromoanilino)hexanoic acid
CID 155388105

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-methylhept-2-en-3-yl)aniline?
The IUPAC name of 4-bromo-N-(6-methylhept-2-en-3-yl)aniline (CID 151695650) is 4-bromo-N-(6-methylhept-2-en-3-yl)aniline.
What is the SMILES notation for 4-bromo-N-(6-methylhept-2-en-3-yl)aniline?
The canonical SMILES for 4-bromo-N-(6-methylhept-2-en-3-yl)aniline is CC=C(CCC(C)C)Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(6-methylhept-2-en-3-yl)aniline?
The InChIKey is RDMNNALQUHPAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-4-13(8-5-11(2)3)16-14-9-6-12(15)7-10-14/h4,6-7,9-11,16H,5,8H2,1-3H3.
What are the key properties of 4-bromo-N-(6-methylhept-2-en-3-yl)aniline?
4-bromo-N-(6-methylhept-2-en-3-yl)aniline has a molecular weight of 282.23 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-methylhept-2-en-3-yl)aniline is sourced from PubChem (CID 151695650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).