1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine

C18H29NO — CID 116763952

IUPAC1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(CC)c2)CCCCC1
InChIInChI=1S/C18H29NO/c1-4-15-10-9-11-16(14-15)17(19-3)18(20-5-2)12-7-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3
InChIKeyWTRWFBJBUBVKPO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds6

About 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine

1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine (PubChem CID 116763952) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
PubChem CID116763952
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(CC)c2)CCCCC1
InChIInChI=1S/C18H29NO/c1-4-15-10-9-11-16(14-15)17(19-3)18(20-5-2)12-7-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3
InChIKeyWTRWFBJBUBVKPO-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 114604846
[(3-ethylphenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268588
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine (CID 116763952) is 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine is CCOC1(C(NC)c2cccc(CC)c2)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The InChIKey is WTRWFBJBUBVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-10-9-11-16(14-15)17(19-3)18(20-5-2)12-7-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine?
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116763952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).