1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine

C12H16Cl2N2 — CID 79458620

IUPAC1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H16Cl2N2/c13-8-4-9(14)6-12(5-8)16-11-3-1-2-10(15)7-11/h4-6,10-11,16H,1-3,7,15H2
InChIKeyNYSOBKNPZKZOHG-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.68
Rot. Bonds2

About 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine

1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine (PubChem CID 79458620) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine
PubChem CID79458620
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H16Cl2N2/c13-8-4-9(14)6-12(5-8)16-11-3-1-2-10(15)7-11/h4-6,10-11,16H,1-3,7,15H2
InChIKeyNYSOBKNPZKZOHG-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

3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724077
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458145
N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087825
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
1-N-(3-bromo-5-methoxyphenyl)cyclohexane-1,3-diamine
CID 82858096
1-N-(2-chloro-4-fluorophenyl)cyclohexane-1,3-diamine
CID 79459216
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine (CID 79458620) is 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine is NC1CCCC(Nc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine?
The InChIKey is NYSOBKNPZKZOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-8-4-9(14)6-12(5-8)16-11-3-1-2-10(15)7-11/h4-6,10-11,16H,1-3,7,15H2.
What are the key properties of 1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine?
1-N-(3,5-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-(3,5-dichlorophenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).