N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine

C12H18BrClN2 — CID 107442489

IUPACN'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C12H18BrClN2/c1-8(2)9(6-15)7-16-12-4-3-10(14)5-11(12)13/h3-5,8-9,16H,6-7,15H2,1-2H3
InChIKeyZUIRHJDYYGFYTE-UHFFFAOYSA-N
MW305.65 g/mol
LogP3.75
Rot. Bonds5

About N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442489) has the molecular formula C12H18BrClN2 and a molecular weight of 305.65 g/mol. Its IUPAC name is N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442489
Molecular FormulaC12H18BrClN2
Molecular Weight305.65 g/mol
Exact Mass304.03
IUPAC NameN'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C12H18BrClN2/c1-8(2)9(6-15)7-16-12-4-3-10(14)5-11(12)13/h3-5,8-9,16H,6-7,15H2,1-2H3
InChIKeyZUIRHJDYYGFYTE-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.65
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[2-(aminomethyl)-3-methylbutyl]amino]-5-chlorobenzoate
CID 107441442
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442697
2-bromo-4-chloro-N-(2-fluoroethyl)aniline
CID 81270421
N'-(4-bromo-2-nitrophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441802
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
2-bromo-4-chloro-N-prop-2-ynylaniline
CID 80979911
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442365
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzoic acid
CID 107441688
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 81264280

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine (CID 107442489) is N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1ccc(Cl)cc1Br.
What is the InChIKey of N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZUIRHJDYYGFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2/c1-8(2)9(6-15)7-16-12-4-3-10(14)5-11(12)13/h3-5,8-9,16H,6-7,15H2,1-2H3.
What are the key properties of N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 305.65 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4-chlorophenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).