1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine

C17H27NO — CID 116762035

IUPAC1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCCOC1(C(Cc2cccc(C)c2)NC)CCCC1
InChIInChI=1S/C17H27NO/c1-4-19-17(10-5-6-11-17)16(18-3)13-15-9-7-8-14(2)12-15/h7-9,12,16,18H,4-6,10-11,13H2,1-3H3
InChIKeyXSDQLLBHKGYLES-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.47
Rot. Bonds6

About 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine

1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 116762035) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID116762035
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCCOC1(C(Cc2cccc(C)c2)NC)CCCC1
InChIInChI=1S/C17H27NO/c1-4-19-17(10-5-6-11-17)16(18-3)13-15-9-7-8-14(2)12-15/h7-9,12,16,18H,4-6,10-11,13H2,1-3H3
InChIKeyXSDQLLBHKGYLES-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763856
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 116762040
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 116770809
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
[2-(3-chlorophenyl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
CID 105275871
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
[2-(3,5-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276272

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 116762035) is 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine is CCOC1(C(Cc2cccc(C)c2)NC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is XSDQLLBHKGYLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-17(10-5-6-11-17)16(18-3)13-15-9-7-8-14(2)12-15/h7-9,12,16,18H,4-6,10-11,13H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 116762035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).