4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine

C12H16Cl2N2 — CID 79724077

IUPAC4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C12H16Cl2N2/c13-8-5-9(14)7-12(6-8)16-11-3-1-10(15)2-4-11/h5-7,10-11,16H,1-4,15H2
InChIKeyGMYMRTJBMMVYRX-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.68
Rot. Bonds2

About 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine

4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine (PubChem CID 79724077) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine
PubChem CID79724077
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C12H16Cl2N2/c13-8-5-9(14)7-12(6-8)16-11-3-1-10(15)2-4-11/h5-7,10-11,16H,1-4,15H2
InChIKeyGMYMRTJBMMVYRX-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

4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine
CID 116699040
4-(3,5-dichloroanilino)cyclohexan-1-ol
CID 54546506
1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458620
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087825
4-N-(3-fluoro-5-methylphenyl)cyclohexane-1,4-diamine
CID 79740975
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
CID 107364276
3-chloro-5-fluoro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 107363988
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine (CID 79724077) is 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine is NC1CCC(Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine?
The InChIKey is GMYMRTJBMMVYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-8-5-9(14)7-12(6-8)16-11-3-1-10(15)2-4-11/h5-7,10-11,16H,1-4,15H2.
What are the key properties of 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine?
4-N-(3,5-dichlorophenyl)cyclohexane-1,4-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 4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).