1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine

C12H16Cl2N2 — CID 79458145

IUPAC1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H16Cl2N2/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2
InChIKeyUJWMETNUFKOFCZ-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.68
Rot. Bonds2

About 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine

1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine (PubChem CID 79458145) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine
PubChem CID79458145
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H16Cl2N2/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2
InChIKeyUJWMETNUFKOFCZ-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
1-N-(2-chloro-4-fluorophenyl)cyclohexane-1,3-diamine
CID 79459216
methyl 2-[(3-aminocyclohexyl)amino]-4-chlorobenzoate
CID 79459028
2,4-dichloro-N-(3-methylcyclopentyl)aniline
CID 64502454
1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458620
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459495
1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440
trans-(1S,3S)-1-N-(6-chloro-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 69439548
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 79458648
1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
CID 79458952

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine (CID 79458145) is 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine is NC1CCCC(Nc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine?
The InChIKey is UJWMETNUFKOFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2.
What are the key properties of 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine?
1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine has a molecular weight of 259.18 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).