5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride

C17H30ClNO2 — CID 3032230

IUPAC5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride
SMILESCCCCC(N)(CCCC)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-5-7-11-17(18,12-8-6-2)14-9-10-15(19-3)16(13-14)20-4;/h9-10,13H,5-8,11-12,18H2,1-4H3;1H
InChIKeyJJXLNTNICRAGKH-UHFFFAOYSA-N
MW315.89 g/mol
LogP4.66
Rot. Bonds9

About 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride

5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride (PubChem CID 3032230) has the molecular formula C17H30ClNO2 and a molecular weight of 315.89 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride
PubChem CID3032230
Molecular FormulaC17H30ClNO2
Molecular Weight315.89 g/mol
Exact Mass315.20
IUPAC Name5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride
SMILESCCCCC(N)(CCCC)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-5-7-11-17(18,12-8-6-2)14-9-10-15(19-3)16(13-14)20-4;/h9-10,13H,5-8,11-12,18H2,1-4H3;1H
InChIKeyJJXLNTNICRAGKH-UHFFFAOYSA-N
XLogP4.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride?
The IUPAC name of 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride (CID 3032230) is 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride is CCCCC(N)(CCCC)c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride?
The InChIKey is JJXLNTNICRAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2.ClH/c1-5-7-11-17(18,12-8-6-2)14-9-10-15(19-3)16(13-14)20-4;/h9-10,13H,5-8,11-12,18H2,1-4H3;1H.
What are the key properties of 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride?
5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)nonan-5-amine;hydrochloride is sourced from PubChem (CID 3032230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).