1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine

C17H27NO3 — CID 116810820

IUPAC1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2c(OC)cccc2OC)CCCC1
InChIInChI=1S/C17H27NO3/c1-5-21-17(11-6-7-12-17)16(18-2)15-13(19-3)9-8-10-14(15)20-4/h8-10,16,18H,5-7,11-12H2,1-4H3
InChIKeyTZTMTQRLRKRMRO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine

1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine (PubChem CID 116810820) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
PubChem CID116810820
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2c(OC)cccc2OC)CCCC1
InChIInChI=1S/C17H27NO3/c1-5-21-17(11-6-7-12-17)16(18-2)15-13(19-3)9-8-10-14(15)20-4/h8-10,16,18H,5-7,11-12H2,1-4H3
InChIKeyTZTMTQRLRKRMRO-UHFFFAOYSA-N
XLogP3.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 116763842
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181
N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105052066

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine (CID 116810820) is 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine is CCOC1(C(NC)c2c(OC)cccc2OC)CCCC1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The InChIKey is TZTMTQRLRKRMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-21-17(11-6-7-12-17)16(18-2)15-13(19-3)9-8-10-14(15)20-4/h8-10,16,18H,5-7,11-12H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 116810820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).