2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine

C15H22Cl2N2 — CID 106890457

IUPAC2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine
SMILESCC1CCCC(CCNc2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C15H22Cl2N2/c1-10-3-2-4-11(7-10)5-6-19-15-13(16)8-12(18)9-14(15)17/h8-11,19H,2-7,18H2,1H3
InChIKeyMGHFFRIHGQFBED-UHFFFAOYSA-N
MW301.26 g/mol
LogP5.20
Rot. Bonds4

About 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine

2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine (PubChem CID 106890457) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine
PubChem CID106890457
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine
SMILESCC1CCCC(CCNc2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C15H22Cl2N2/c1-10-3-2-4-11(7-10)5-6-19-15-13(16)8-12(18)9-14(15)17/h8-11,19H,2-7,18H2,1H3
InChIKeyMGHFFRIHGQFBED-UHFFFAOYSA-N
XLogP5.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
(2-{4-[(2-Chloro-benzylamino)-methyl]-cyclohexyl}-ethyl)-(2-chloro-phenyl)-amine
CID 44398036
2-chloro-1-N-(1-phenylethyl)benzene-1,4-diamine
CID 43115341
1-N-benzyl-2-chlorobenzene-1,4-diamine
CID 18543159
2-chloro-N-(1-phenylethyl)aniline
CID 14976481
3-Chloro-4-(3-methylpiperidin-1-yl)aniline dihydrochloride
CID 90486232
N-Benzyl-2,4-dichloroaniline
CID 13339994
2-chloro-N-(2-phenylethyl)aniline
CID 21682091
2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine
CID 54079634
(2,6-Dichloro-4-dimethylaminophenyl)-isopropylamine
CID 54350999
2-chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline
CID 56607143
3,5-dichloro-N-(2-phenylethyl)aniline
CID 18778533

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine (CID 106890457) is 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine is CC1CCCC(CCNc2c(Cl)cc(N)cc2Cl)C1.
What is the InChIKey of 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine?
The InChIKey is MGHFFRIHGQFBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-10-3-2-4-11(7-10)5-6-19-15-13(16)8-12(18)9-14(15)17/h8-11,19H,2-7,18H2,1H3.
What are the key properties of 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine has a molecular weight of 301.26 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 106890457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).