2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine

C12H18BrN3 — CID 62976081

IUPAC2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine
SMILESCN(CCNc1ccc(N)cc1Br)C1CC1
InChIInChI=1S/C12H18BrN3/c1-16(10-3-4-10)7-6-15-12-5-2-9(14)8-11(12)13/h2,5,8,10,15H,3-4,6-7,14H2,1H3
InChIKeyDVCZAFJFMLVWMX-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.54
Rot. Bonds5

About 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine

2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine (PubChem CID 62976081) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine
PubChem CID62976081
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine
SMILESCN(CCNc1ccc(N)cc1Br)C1CC1
InChIInChI=1S/C12H18BrN3/c1-16(10-3-4-10)7-6-15-12-5-2-9(14)8-11(12)13/h2,5,8,10,15H,3-4,6-7,14H2,1H3
InChIKeyDVCZAFJFMLVWMX-UHFFFAOYSA-N
XLogP2.54
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzene-1,3-diamine
CID 62977758
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
N-(2-bromo-4-nitrophenyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318624
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluorobenzene-1,2-diamine
CID 62974996
3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
CID 62976085
5-bromo-2-[2-[cyclopentyl(methyl)amino]ethylamino]benzonitrile
CID 114890677
N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104777050
1-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzene-1,4-diamine
CID 55203728
N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
CID 103911705

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine?
The IUPAC name of 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine (CID 62976081) is 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine is CN(CCNc1ccc(N)cc1Br)C1CC1.
What is the InChIKey of 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine?
The InChIKey is DVCZAFJFMLVWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-16(10-3-4-10)7-6-15-12-5-2-9(14)8-11(12)13/h2,5,8,10,15H,3-4,6-7,14H2,1H3.
What are the key properties of 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine?
2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine has a molecular weight of 284.20 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine is sourced from PubChem (CID 62976081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).