1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine

C19H29NO — CID 116662039

IUPAC1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
SMILESCCCNC(CC1=CCCCC1)Cc1ccccc1OC
InChIInChI=1S/C19H29NO/c1-3-13-20-18(14-16-9-5-4-6-10-16)15-17-11-7-8-12-19(17)21-2/h7-9,11-12,18,20H,3-6,10,13-15H2,1-2H3
InChIKeyJBUWGPIXYNUZPU-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.50
Rot. Bonds8

About 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine

1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine (PubChem CID 116662039) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
PubChem CID116662039
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
SMILESCCCNC(CC1=CCCCC1)Cc1ccccc1OC
InChIInChI=1S/C19H29NO/c1-3-13-20-18(14-16-9-5-4-6-10-16)15-17-11-7-8-12-19(17)21-2/h7-9,11-12,18,20H,3-6,10,13-15H2,1-2H3
InChIKeyJBUWGPIXYNUZPU-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 116662158
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
1-(4-bromo-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116661987
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
CID 79179978

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine (CID 116662039) is 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine is CCCNC(CC1=CCCCC1)Cc1ccccc1OC.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine?
The InChIKey is JBUWGPIXYNUZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-13-20-18(14-16-9-5-4-6-10-16)15-17-11-7-8-12-19(17)21-2/h7-9,11-12,18,20H,3-6,10,13-15H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine?
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 116662039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).