4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine

C14H20Cl2N2 — CID 79122016

IUPAC4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(Cc1cccc(Cl)c1Cl)C1CCC(N)CC1
InChIInChI=1S/C14H20Cl2N2/c1-18(12-7-5-11(17)6-8-12)9-10-3-2-4-13(15)14(10)16/h2-4,11-12H,5-9,17H2,1H3
InChIKeyNSFKFYNBKQDDBY-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.70
Rot. Bonds3

About 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79122016) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79122016
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(Cc1cccc(Cl)c1Cl)C1CCC(N)CC1
InChIInChI=1S/C14H20Cl2N2/c1-18(12-7-5-11(17)6-8-12)9-10-3-2-4-13(15)14(10)16/h2-4,11-12H,5-9,17H2,1H3
InChIKeyNSFKFYNBKQDDBY-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine (CID 79122016) is 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine is CN(Cc1cccc(Cl)c1Cl)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is NSFKFYNBKQDDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-18(12-7-5-11(17)6-8-12)9-10-3-2-4-13(15)14(10)16/h2-4,11-12H,5-9,17H2,1H3.
What are the key properties of 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 287.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).