N-[(3,4-dichlorophenyl)methyl]cyclohexanamine

C13H17Cl2N — CID 4719194

IUPACN-[(3,4-dichlorophenyl)methyl]cyclohexanamine
SMILESClc1ccc(CNC2CCCCC2)cc1Cl
InChIInChI=1S/C13H17Cl2N/c14-12-7-6-10(8-13(12)15)9-16-11-4-2-1-3-5-11/h6-8,11,16H,1-5,9H2
InChIKeyPEZCMQDKHGXWKH-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.42
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]cyclohexanamine

N-[(3,4-dichlorophenyl)methyl]cyclohexanamine (PubChem CID 4719194) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]cyclohexanamine
PubChem CID4719194
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]cyclohexanamine
SMILESClc1ccc(CNC2CCCCC2)cc1Cl
InChIInChI=1S/C13H17Cl2N/c14-12-7-6-10(8-13(12)15)9-16-11-4-2-1-3-5-11/h6-8,11,16H,1-5,9H2
InChIKeyPEZCMQDKHGXWKH-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]cyclohexanamine (CID 4719194) is N-[(3,4-dichlorophenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]cyclohexanamine is Clc1ccc(CNC2CCCCC2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]cyclohexanamine?
The InChIKey is PEZCMQDKHGXWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-12-7-6-10(8-13(12)15)9-16-11-4-2-1-3-5-11/h6-8,11,16H,1-5,9H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]cyclohexanamine?
N-[(3,4-dichlorophenyl)methyl]cyclohexanamine has a molecular weight of 258.19 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]cyclohexanamine is sourced from PubChem (CID 4719194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).