4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride

C13H20Cl2N2 — CID 66569865

IUPAC4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
SMILESCl.NC1CCC(NCc2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2.ClH/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12;/h1-4,11-12,16H,5-9,15H2;1H
InChIKeyCSWXOEJCEOWPFR-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.12
Rot. Bonds3

About 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride

4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride (PubChem CID 66569865) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
PubChem CID66569865
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
SMILESCl.NC1CCC(NCc2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2.ClH/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12;/h1-4,11-12,16H,5-9,15H2;1H
InChIKeyCSWXOEJCEOWPFR-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817057
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 810153
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
4-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 79742029
N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43221477
N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine
CID 64595616
3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine
CID 79462657

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride (CID 66569865) is 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride is Cl.NC1CCC(NCc2ccccc2Cl)CC1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride?
The InChIKey is CSWXOEJCEOWPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2.ClH/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12;/h1-4,11-12,16H,5-9,15H2;1H.
What are the key properties of 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride?
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride has a molecular weight of 275.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride is sourced from PubChem (CID 66569865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).