4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine

C13H18Cl2N2 — CID 62313670

IUPAC4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H18Cl2N2/c14-12-6-1-9(7-13(12)15)8-17-11-4-2-10(16)3-5-11/h1,6-7,10-11,17H,2-5,8,16H2
InChIKeyHXZQHBSGGVCHDI-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.35
Rot. Bonds3

About 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine

4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 62313670) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
PubChem CID62313670
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H18Cl2N2/c14-12-6-1-9(7-13(12)15)8-17-11-4-2-10(16)3-5-11/h1,6-7,10-11,17H,2-5,8,16H2
InChIKeyHXZQHBSGGVCHDI-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160799
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757509
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
2-chloro-4-[(cyclopropylamino)methyl]benzoic acid
CID 117219988
4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
CID 105378440
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60658203
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine (CID 62313670) is 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine is NC1CCC(NCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is HXZQHBSGGVCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-12-6-1-9(7-13(12)15)8-17-11-4-2-10(16)3-5-11/h1,6-7,10-11,17H,2-5,8,16H2.
What are the key properties of 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine?
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 273.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62313670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).