4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine

C16H25ClN2 — CID 43741067

IUPAC4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Cl)cc1NC1CCCCCCC1
InChIInChI=1S/C16H25ClN2/c1-19(2)16-11-10-13(17)12-15(16)18-14-8-6-4-3-5-7-9-14/h10-12,14,18H,3-9H2,1-2H3
InChIKeyCBBOCAHZWQDXAX-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.93
Rot. Bonds3

About 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43741067) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43741067
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Cl)cc1NC1CCCCCCC1
InChIInChI=1S/C16H25ClN2/c1-19(2)16-11-10-13(17)12-15(16)18-14-8-6-4-3-5-7-9-14/h10-12,14,18H,3-9H2,1-2H3
InChIKeyCBBOCAHZWQDXAX-UHFFFAOYSA-N
XLogP4.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746246
4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741071
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
2-N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 82012374
2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105364252
5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43741067) is 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Cl)cc1NC1CCCCCCC1.
What is the InChIKey of 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is CBBOCAHZWQDXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-19(2)16-11-10-13(17)12-15(16)18-14-8-6-4-3-5-7-9-14/h10-12,14,18H,3-9H2,1-2H3.
What are the key properties of 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43741067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).