2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine

C15H22ClN3 — CID 105364252

IUPAC2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Cl)cc1NC1CCN2CCC1C2
InChIInChI=1S/C15H22ClN3/c1-18(2)15-4-3-12(16)9-14(15)17-13-6-8-19-7-5-11(13)10-19/h3-4,9,11,13,17H,5-8,10H2,1-2H3
InChIKeyLLXAGUBUZZXJHP-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.91
Rot. Bonds3

About 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine

2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 105364252) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID105364252
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Cl)cc1NC1CCN2CCC1C2
InChIInChI=1S/C15H22ClN3/c1-18(2)15-4-3-12(16)9-14(15)17-13-6-8-19-7-5-11(13)10-19/h3-4,9,11,13,17H,5-8,10H2,1-2H3
InChIKeyLLXAGUBUZZXJHP-UHFFFAOYSA-N
XLogP2.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine with MolForge

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363660
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363940
4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741067
4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741071
N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364098
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364008
N-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)-4-chlorophenyl]methanesulfonamide
CID 105364063
N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364289
N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363663
4-chloro-2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 64851917
N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide
CID 105364190

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine (CID 105364252) is 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Cl)cc1NC1CCN2CCC1C2.
What is the InChIKey of 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is LLXAGUBUZZXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-18(2)15-4-3-12(16)9-14(15)17-13-6-8-19-7-5-11(13)10-19/h3-4,9,11,13,17H,5-8,10H2,1-2H3.
What are the key properties of 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine?
2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 279.81 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 105364252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).