2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine

C15H24BrClN2 — CID 107619611

IUPAC2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H24BrClN2/c1-4-11(3)9-15(5-2,10-18)19-12-6-7-13(16)14(17)8-12/h6-8,11,19H,4-5,9-10,18H2,1-3H3
InChIKeyPGQZARCUIUIISF-UHFFFAOYSA-N
MW347.73 g/mol
LogP5.06
Rot. Bonds7

About 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine

2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine (PubChem CID 107619611) has the molecular formula C15H24BrClN2 and a molecular weight of 347.73 g/mol. Its IUPAC name is 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine
PubChem CID107619611
Molecular FormulaC15H24BrClN2
Molecular Weight347.73 g/mol
Exact Mass346.08
IUPAC Name2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H24BrClN2/c1-4-11(3)9-15(5-2,10-18)19-12-6-7-13(16)14(17)8-12/h6-8,11,19H,4-5,9-10,18H2,1-3H3
InChIKeyPGQZARCUIUIISF-UHFFFAOYSA-N
XLogP5.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.73
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine 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

2-ethyl-2-N-(4-methoxyphenyl)-4-methylhexane-1,2-diamine
CID 65383666
2-N-(4-bromo-3-chlorophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 107619631
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
2-N-(4-bromo-3-chlorophenyl)heptane-1,2-diamine
CID 107619613
1-(4-bromo-3-chlorophenyl)-3-[(2S)-butan-2-yl]thiourea
CID 100581419
4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline
CID 107619352
2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 107619429
2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine
CID 104776300
4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide
CID 107619662
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
2-N-(4-bromo-3-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 107619605
4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline
CID 107619790

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine?
The IUPAC name of 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine (CID 107619611) is 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine is CCC(C)CC(CC)(CN)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine?
The InChIKey is PGQZARCUIUIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrClN2/c1-4-11(3)9-15(5-2,10-18)19-12-6-7-13(16)14(17)8-12/h6-8,11,19H,4-5,9-10,18H2,1-3H3.
What are the key properties of 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine?
2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine has a molecular weight of 347.73 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3-chlorophenyl)-2-ethyl-4-methylhexane-1,2-diamine is sourced from PubChem (CID 107619611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).