1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine

C16H25ClN2 — CID 79070452

IUPAC1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(Cc1ccccc1Cl)C1(N(C)C)CCCC1
InChIInChI=1S/C16H25ClN2/c1-18-15(12-13-8-4-5-9-14(13)17)16(19(2)3)10-6-7-11-16/h4-5,8-9,15,18H,6-7,10-12H2,1-3H3
InChIKeyOYRFOLVCSXEXCC-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine

1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79070452) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79070452
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(Cc1ccccc1Cl)C1(N(C)C)CCCC1
InChIInChI=1S/C16H25ClN2/c1-18-15(12-13-8-4-5-9-14(13)17)16(19(2)3)10-6-7-11-16/h4-5,8-9,15,18H,6-7,10-12H2,1-3H3
InChIKeyOYRFOLVCSXEXCC-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-[2-(2-chloro-6-fluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070602
1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79058125
N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 79070291
N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine
CID 79080928
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine
CID 79066965
1-[2-(2-chloro-5-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 102623370

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine (CID 79070452) is 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine is CNC(Cc1ccccc1Cl)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is OYRFOLVCSXEXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-18-15(12-13-8-4-5-9-14(13)17)16(19(2)3)10-6-7-11-16/h4-5,8-9,15,18H,6-7,10-12H2,1-3H3.
What are the key properties of 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79070452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).