2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine

C17H27NO — CID 104610924

IUPAC2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)C1(OC)CCCC1
InChIInChI=1S/C17H27NO/c1-13-7-8-14(2)15(11-13)12-16(18-3)17(19-4)9-5-6-10-17/h7-8,11,16,18H,5-6,9-10,12H2,1-4H3
InChIKeyCNVCXIZZEWBSSP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.39
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine

2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine (PubChem CID 104610924) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
PubChem CID104610924
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)C1(OC)CCCC1
InChIInChI=1S/C17H27NO/c1-13-7-8-14(2)15(11-13)12-16(18-3)17(19-4)9-5-6-10-17/h7-8,11,16,18H,5-6,9-10,12H2,1-4H3
InChIKeyCNVCXIZZEWBSSP-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 116762040
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
CID 105374330
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
[2-(2-chloro-4-methylphenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 106871506
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine (CID 104610924) is 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)C1(OC)CCCC1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine?
The InChIKey is CNVCXIZZEWBSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-7-8-14(2)15(11-13)12-16(18-3)17(19-4)9-5-6-10-17/h7-8,11,16,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine?
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine is sourced from PubChem (CID 104610924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).