N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine

C10H14BrClN2 — CID 130604497

IUPACN'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1cccc(Cl)c1Br
InChIInChI=1S/C10H14BrClN2/c1-7(5-13)6-14-9-4-2-3-8(12)10(9)11/h2-4,7,14H,5-6,13H2,1H3
InChIKeyKJBSJKDSNUOXPQ-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.11
Rot. Bonds4

About N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine

N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine (PubChem CID 130604497) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine
PubChem CID130604497
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC NameN'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1cccc(Cl)c1Br
InChIInChI=1S/C10H14BrClN2/c1-7(5-13)6-14-9-4-2-3-8(12)10(9)11/h2-4,7,14H,5-6,13H2,1H3
InChIKeyKJBSJKDSNUOXPQ-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-bromo-3-chlorophenyl)propane-1,3-diamine
CID 103478055
N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 130604516
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
2-bromo-3-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]aniline
CID 103478270
2-bromo-N-[(E)-but-2-enyl]-3-chloroaniline
CID 107899336
N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine
CID 65035349
1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106990645
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442365
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
CID 103481487

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine (CID 130604497) is N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine is CC(CN)CNc1cccc(Cl)c1Br.
What is the InChIKey of N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine?
The InChIKey is KJBSJKDSNUOXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2/c1-7(5-13)6-14-9-4-2-3-8(12)10(9)11/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine?
N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine has a molecular weight of 277.59 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 130604497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).