(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine

C16H25NO2 — CID 116763600

IUPAC(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
SMILESCCOC1(C(N)c2cccc(OC)c2)CCCCC1
InChIInChI=1S/C16H25NO2/c1-3-19-16(10-5-4-6-11-16)15(17)13-8-7-9-14(12-13)18-2/h7-9,12,15H,3-6,10-11,17H2,1-2H3
InChIKeyOKZQOIBOFIXEMA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds5

About (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine

(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine (PubChem CID 116763600) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
PubChem CID116763600
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
SMILESCCOC1(C(N)c2cccc(OC)c2)CCCCC1
InChIInChI=1S/C16H25NO2/c1-3-19-16(10-5-4-6-11-16)15(17)13-8-7-9-14(12-13)18-2/h7-9,12,15H,3-6,10-11,17H2,1-2H3
InChIKeyOKZQOIBOFIXEMA-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105278241
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine
CID 116761821
(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
CID 116763590

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine (CID 116763600) is (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine is CCOC1(C(N)c2cccc(OC)c2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine?
The InChIKey is OKZQOIBOFIXEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-19-16(10-5-4-6-11-16)15(17)13-8-7-9-14(12-13)18-2/h7-9,12,15H,3-6,10-11,17H2,1-2H3.
What are the key properties of (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine?
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 116763600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).