N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride

C18H30ClNO2 — CID 2993164

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
SMILESCCOc1ccc(CNC2CCCCCCC2)cc1OC.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-3-21-17-12-11-15(13-18(17)20-2)14-19-16-9-7-5-4-6-8-10-16;/h11-13,16,19H,3-10,14H2,1-2H3;1H
InChIKeyOTFBUBQKLZDVEC-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.72
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride

N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride (PubChem CID 2993164) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
PubChem CID2993164
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
SMILESCCOc1ccc(CNC2CCCCCCC2)cc1OC.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-3-21-17-12-11-15(13-18(17)20-2)14-19-16-9-7-5-4-6-8-10-16;/h11-13,16,19H,3-10,14H2,1-2H3;1H
InChIKeyOTFBUBQKLZDVEC-UHFFFAOYSA-N
XLogP4.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride (CID 2993164) is N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride is CCOc1ccc(CNC2CCCCCCC2)cc1OC.Cl.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The InChIKey is OTFBUBQKLZDVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-3-21-17-12-11-15(13-18(17)20-2)14-19-16-9-7-5-4-6-8-10-16;/h11-13,16,19H,3-10,14H2,1-2H3;1H.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride?
N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclooctanamine;hydrochloride is sourced from PubChem (CID 2993164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).