1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine

C18H29NO — CID 106682086

IUPAC1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2c(C)cc(C)cc2OC)CCCC1
InChIInChI=1S/C18H29NO/c1-6-18(9-7-8-10-18)17(19-4)16-14(3)11-13(2)12-15(16)20-5/h11-12,17,19H,6-10H2,1-5H3
InChIKeyFLYNBXOPPRQUHC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.54
Rot. Bonds5

About 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine

1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106682086) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106682086
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2c(C)cc(C)cc2OC)CCCC1
InChIInChI=1S/C18H29NO/c1-6-18(9-7-8-10-18)17(19-4)16-14(3)11-13(2)12-15(16)20-5/h11-12,17,19H,6-10H2,1-5H3
InChIKeyFLYNBXOPPRQUHC-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830788
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680926
1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 106680980
1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 106680334
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680928
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine (CID 106682086) is 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine is CCC1(C(NC)c2c(C)cc(C)cc2OC)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is FLYNBXOPPRQUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-18(9-7-8-10-18)17(19-4)16-14(3)11-13(2)12-15(16)20-5/h11-12,17,19H,6-10H2,1-5H3.
What are the key properties of 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine?
1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106682086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).