4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine

C16H25BrN2 — CID 43791142

IUPAC4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Br)ccc1N(C)C)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-12(13-7-5-4-6-8-13)18-15-11-14(17)9-10-16(15)19(2)3/h9-13,18H,4-8H2,1-3H3
InChIKeyKBKYNVYNYGJVDN-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.90
Rot. Bonds4

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

4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43791142) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43791142
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Br)ccc1N(C)C)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-12(13-7-5-4-6-8-13)18-15-11-14(17)9-10-16(15)19(2)3/h9-13,18H,4-8H2,1-3H3
InChIKeyKBKYNVYNYGJVDN-UHFFFAOYSA-N
XLogP4.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746246
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 102868983
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
4-bromo-2-N-(3-cyclopropylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 64594291
5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107705933
4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
CID 43746258
2-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730
4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 79835668

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43791142) is 4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine is CC(Nc1cc(Br)ccc1N(C)C)C1CCCCC1.
What is the InChIKey of 4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is KBKYNVYNYGJVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12(13-7-5-4-6-8-13)18-15-11-14(17)9-10-16(15)19(2)3/h9-13,18H,4-8H2,1-3H3.
What are the key properties of 4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 325.29 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-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43791142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).