1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine

C13H17Cl2N — CID 115778747

IUPAC1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1c(Cl)cccc1Cl)C1CCCC1
InChIInChI=1S/C13H17Cl2N/c1-16-13(9-5-2-3-6-9)12-10(14)7-4-8-11(12)15/h4,7-9,13,16H,2-3,5-6H2,1H3
InChIKeyVEJUAQNUQJTVPR-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.44
Rot. Bonds3

About 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine

1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine (PubChem CID 115778747) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
PubChem CID115778747
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1c(Cl)cccc1Cl)C1CCCC1
InChIInChI=1S/C13H17Cl2N/c1-16-13(9-5-2-3-6-9)12-10(14)7-4-8-11(12)15/h4,7-9,13,16H,2-3,5-6H2,1H3
InChIKeyVEJUAQNUQJTVPR-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 107103005
[cyclobutyl-(2,6-dichlorophenyl)methyl]hydrazine
CID 105340127
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 114981468
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 82933922
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine (CID 115778747) is 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine is CNC(c1c(Cl)cccc1Cl)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine?
The InChIKey is VEJUAQNUQJTVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-16-13(9-5-2-3-6-9)12-10(14)7-4-8-11(12)15/h4,7-9,13,16H,2-3,5-6H2,1H3.
What are the key properties of 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine?
1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine has a molecular weight of 258.19 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115778747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).