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

C18H29NO — CID 116762276

IUPAC1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1(OCC)CCCC1
InChIInChI=1S/C18H29NO/c1-4-19-17(14-16-10-8-9-15(3)13-16)18(20-5-2)11-6-7-12-18/h8-10,13,17,19H,4-7,11-12,14H2,1-3H3
InChIKeySZGFATFUVAMILI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.86
Rot. Bonds7

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

1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine (PubChem CID 116762276) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
PubChem CID116762276
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1(OCC)CCCC1
InChIInChI=1S/C18H29NO/c1-4-19-17(14-16-10-8-9-15(3)13-16)18(20-5-2)11-6-7-12-18/h8-10,13,17,19H,4-7,11-12,14H2,1-3H3
InChIKeySZGFATFUVAMILI-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 116764064
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine (CID 116762276) is 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)C1(OCC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The InChIKey is SZGFATFUVAMILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-19-17(14-16-10-8-9-15(3)13-16)18(20-5-2)11-6-7-12-18/h8-10,13,17,19H,4-7,11-12,14H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 116762276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).