1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine

C17H27ClN2O — CID 79058125

IUPAC1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1(N(C)C)CCCC1
InChIInChI=1S/C17H27ClN2O/c1-19-16(17(20(2)3)9-5-6-10-17)12-13-11-14(18)7-8-15(13)21-4/h7-8,11,16,19H,5-6,9-10,12H2,1-4H3
InChIKeyHBPIKNLYWGGRFC-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.35
Rot. Bonds6

About 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine

1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79058125) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79058125
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1(N(C)C)CCCC1
InChIInChI=1S/C17H27ClN2O/c1-19-16(17(20(2)3)9-5-6-10-17)12-13-11-14(18)7-8-15(13)21-4/h7-8,11,16,19H,5-6,9-10,12H2,1-4H3
InChIKeyHBPIKNLYWGGRFC-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115845087
1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070452
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882
2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042
1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 62007927
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 116762040

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine (CID 79058125) is 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine is CNC(Cc1cc(Cl)ccc1OC)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is HBPIKNLYWGGRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-19-16(17(20(2)3)9-5-6-10-17)12-13-11-14(18)7-8-15(13)21-4/h7-8,11,16,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine?
1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79058125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).