(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

C17H27NO2 — CID 116761694

IUPAC(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCCOC1(C(N)c2cc(C)c(OC)cc2C)CCCC1
InChIInChI=1S/C17H27NO2/c1-5-20-17(8-6-7-9-17)16(18)14-10-13(3)15(19-4)11-12(14)2/h10-11,16H,5-9,18H2,1-4H3
InChIKeyHFHWPKIFMCYMHX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.66
Rot. Bonds5

About (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 116761694) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID116761694
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCCOC1(C(N)c2cc(C)c(OC)cc2C)CCCC1
InChIInChI=1S/C17H27NO2/c1-5-20-17(8-6-7-9-17)16(18)14-10-13(3)15(19-4)11-12(14)2/h10-11,16H,5-9,18H2,1-4H3
InChIKeyHFHWPKIFMCYMHX-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642
(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433954
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755265
(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767593
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 116714296
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116944935
(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680981
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 116761694) is (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is CCOC1(C(N)c2cc(C)c(OC)cc2C)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is HFHWPKIFMCYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-17(8-6-7-9-17)16(18)14-10-13(3)15(19-4)11-12(14)2/h10-11,16H,5-9,18H2,1-4H3.
What are the key properties of (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 116761694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).