(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine

C16H25NO2 — CID 65411014

IUPAC(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
SMILESCCC1CCC(C(N)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C16H25NO2/c1-4-11-5-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h7-8,10-12,16H,4-6,9,17H2,1-3H3
InChIKeyVEXMRWMQKPKKLZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.53
Rot. Bonds5

About (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine

(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine (PubChem CID 65411014) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
PubChem CID65411014
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
SMILESCCC1CCC(C(N)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C16H25NO2/c1-4-11-5-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h7-8,10-12,16H,4-6,9,17H2,1-3H3
InChIKeyVEXMRWMQKPKKLZ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanol
CID 65411524
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441
[(2,4-dimethoxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231570

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine (CID 65411014) is (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine is CCC1CCC(C(N)c2cc(OC)ccc2OC)C1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine?
The InChIKey is VEXMRWMQKPKKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-11-5-6-12(9-11)16(17)14-10-13(18-2)7-8-15(14)19-3/h7-8,10-12,16H,4-6,9,17H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine?
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine is sourced from PubChem (CID 65411014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).