(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine

C16H25NO3 — CID 116810819

IUPAC(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)c2c(OC)cccc2OC)CCCC1
InChIInChI=1S/C16H25NO3/c1-4-20-16(10-5-6-11-16)15(17)14-12(18-2)8-7-9-13(14)19-3/h7-9,15H,4-6,10-11,17H2,1-3H3
InChIKeyWRWUNICTFJRFNX-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.05
Rot. Bonds6

About (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine

(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine (PubChem CID 116810819) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
PubChem CID116810819
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)c2c(OC)cccc2OC)CCCC1
InChIInChI=1S/C16H25NO3/c1-4-20-16(10-5-6-11-16)15(17)14-12(18-2)8-7-9-13(14)19-3/h7-9,15H,4-6,10-11,17H2,1-3H3
InChIKeyWRWUNICTFJRFNX-UHFFFAOYSA-N
XLogP3.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
CID 116763590
(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 116753675
(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768668
(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433954
(1-ethoxycyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114661832
(2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine
CID 116810627

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine?
The IUPAC name of (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine (CID 116810819) is (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine?
The canonical SMILES for (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine is CCOC1(C(N)c2c(OC)cccc2OC)CCCC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine?
The InChIKey is WRWUNICTFJRFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-16(10-5-6-11-16)15(17)14-12(18-2)8-7-9-13(14)19-3/h7-9,15H,4-6,10-11,17H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine?
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine is sourced from PubChem (CID 116810819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).