1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine

C19H29NO — CID 116661892

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1cc(C)ccc1OC
InChIInChI=1S/C19H29NO/c1-4-20-18(13-16-8-6-5-7-9-16)14-17-12-15(2)10-11-19(17)21-3/h8,10-12,18,20H,4-7,9,13-14H2,1-3H3
InChIKeyFTBCDUHPJLJKOG-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.41
Rot. Bonds7

About 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine

1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine (PubChem CID 116661892) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
PubChem CID116661892
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1cc(C)ccc1OC
InChIInChI=1S/C19H29NO/c1-4-20-18(13-16-8-6-5-7-9-16)14-17-12-15(2)10-11-19(17)21-3/h8,10-12,18,20H,4-7,9,13-14H2,1-3H3
InChIKeyFTBCDUHPJLJKOG-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.41
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-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661813
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
1-(5-bromo-2-methoxyphenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661454
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-phenylpropan-2-amine
CID 62160348
1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135698
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62501355
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
1-(5-chloro-2-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661242
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107004230

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine (CID 116661892) is 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine is CCNC(CC1=CCCCC1)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The InChIKey is FTBCDUHPJLJKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-20-18(13-16-8-6-5-7-9-16)14-17-12-15(2)10-11-19(17)21-3/h8,10-12,18,20H,4-7,9,13-14H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine is sourced from PubChem (CID 116661892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).