2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine

C19H29NO — CID 116661791

IUPAC2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(CC1=CCCCC1)c1cccc(OC(C)C)c1
InChIInChI=1S/C19H29NO/c1-4-20-19(13-16-9-6-5-7-10-16)17-11-8-12-18(14-17)21-15(2)3/h8-9,11-12,14-15,19-20H,4-7,10,13H2,1-3H3
InChIKeyYFRLNPDTCXNCRI-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.01
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine

2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 116661791) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID116661791
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(CC1=CCCCC1)c1cccc(OC(C)C)c1
InChIInChI=1S/C19H29NO/c1-4-20-19(13-16-9-6-5-7-10-16)17-11-8-12-18(14-17)21-15(2)3/h8-9,11-12,14-15,19-20H,4-7,10,13H2,1-3H3
InChIKeyYFRLNPDTCXNCRI-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.01
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

2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 116660264
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 114604658
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 116661833
2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 116661576
2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
CID 114522221
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
CID 115845454
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 116661610

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine (CID 116661791) is 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine is CCNC(CC1=CCCCC1)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is YFRLNPDTCXNCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-20-19(13-16-9-6-5-7-10-16)17-11-8-12-18(14-17)21-15(2)3/h8-9,11-12,14-15,19-20H,4-7,10,13H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine?
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 116661791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).