[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol

C17H27NO3 — CID 79123387

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2cccc(OC)c2OC)C1
InChIInChI=1S/C17H27NO3/c1-4-12-8-9-17(10-12,11-18)16(19)13-6-5-7-14(20-2)15(13)21-3/h5-7,12,16,19H,4,8-11,18H2,1-3H3
InChIKeySYBPSFQLWYTKFD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.89
Rot. Bonds6

About [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol (PubChem CID 79123387) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
PubChem CID79123387
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2cccc(OC)c2OC)C1
InChIInChI=1S/C17H27NO3/c1-4-12-8-9-17(10-12,11-18)16(19)13-6-5-7-14(20-2)15(13)21-3/h5-7,12,16,19H,4,8-11,18H2,1-3H3
InChIKeySYBPSFQLWYTKFD-UHFFFAOYSA-N
XLogP2.89
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol (CID 79123387) is [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol is CCC1CCC(CN)(C(O)c2cccc(OC)c2OC)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol?
The InChIKey is SYBPSFQLWYTKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-12-8-9-17(10-12,11-18)16(19)13-6-5-7-14(20-2)15(13)21-3/h5-7,12,16,19H,4,8-11,18H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol has a molecular weight of 293.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol is sourced from PubChem (CID 79123387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).