4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine

C17H25BrN2 — CID 64594291

IUPAC4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C17H25BrN2/c1-20(2)17-9-8-14(18)11-16(17)19-15-5-3-4-13(10-15)12-6-7-12/h8-9,11-13,15,19H,3-7,10H2,1-2H3
InChIKeyBUOPDLKXEKKWBZ-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.90
Rot. Bonds4

About 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 64594291) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID64594291
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C17H25BrN2/c1-20(2)17-9-8-14(18)11-16(17)19-15-5-3-4-13(10-15)12-6-7-12/h8-9,11-13,15,19H,3-7,10H2,1-2H3
InChIKeyBUOPDLKXEKKWBZ-UHFFFAOYSA-N
XLogP4.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.90
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
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 79835668
4-bromo-2-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 82853727
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741067
4-bromo-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 43746242
4-bromo-1-N,1-N-dimethyl-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,2-diamine
CID 63450278
4-bromo-2-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 81251956
1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
CID 79458952
N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline
CID 64594666

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine (CID 64594291) is 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Br)cc1NC1CCCC(C2CC2)C1.
What is the InChIKey of 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is BUOPDLKXEKKWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-20(2)17-9-8-14(18)11-16(17)19-15-5-3-4-13(10-15)12-6-7-12/h8-9,11-13,15,19H,3-7,10H2,1-2H3.
What are the key properties of 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 337.31 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 64594291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).