1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine

C18H31NO2 — CID 63414063

IUPAC1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H31NO2/c1-5-7-8-9-10-16(19-13-6-2)15-11-12-17(20-3)18(14-15)21-4/h11-12,14,16,19H,5-10,13H2,1-4H3
InChIKeyFYZFDDOFBFRCOM-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.71
Rot. Bonds11

About 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine

1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine (PubChem CID 63414063) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
PubChem CID63414063
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H31NO2/c1-5-7-8-9-10-16(19-13-6-2)15-11-12-17(20-3)18(14-15)21-4/h11-12,14,16,19H,5-10,13H2,1-4H3
InChIKeyFYZFDDOFBFRCOM-UHFFFAOYSA-N
XLogP4.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3-bromo-4-methoxyphenyl)-N-propylheptan-1-amine
CID 114752425
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 63417042
1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine
CID 79411882
1-(3-methoxy-4-methylphenyl)nonylhydrazine
CID 105294336
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine (CID 63414063) is 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine is CCCCCCC(NCCC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine?
The InChIKey is FYZFDDOFBFRCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-7-8-9-10-16(19-13-6-2)15-11-12-17(20-3)18(14-15)21-4/h11-12,14,16,19H,5-10,13H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine?
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine is sourced from PubChem (CID 63414063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).