(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C17H27NO2 — CID 103433954

IUPAC(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(C)c(C)c2OC)CCCC1
InChIInChI=1S/C17H27NO2/c1-5-20-17(10-6-7-11-17)16(18)14-9-8-12(2)13(3)15(14)19-4/h8-9,16H,5-7,10-11,18H2,1-4H3
InChIKeyQCRAQEBXTOOEGJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.66
Rot. Bonds5

About (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103433954) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103433954
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(C)c(C)c2OC)CCCC1
InChIInChI=1S/C17H27NO2/c1-5-20-17(10-6-7-11-17)16(18)14-9-8-12(2)13(3)15(14)19-4/h8-9,16H,5-7,10-11,18H2,1-4H3
InChIKeyQCRAQEBXTOOEGJ-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

Analyze (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433961
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755265
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103433954) is (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is CCOC1(C(N)c2ccc(C)c(C)c2OC)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is QCRAQEBXTOOEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-17(10-6-7-11-17)16(18)14-9-8-12(2)13(3)15(14)19-4/h8-9,16H,5-7,10-11,18H2,1-4H3.
What are the key properties of (1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(1-ethoxycyclopentyl)-(2-methoxy-3,4-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)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103433954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).