2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine

C18H25NO — CID 114522221

IUPAC2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H25NO/c1-19-18(12-14-6-3-2-4-7-14)15-8-5-9-17(13-15)20-16-10-11-16/h5-6,8-9,13,16,18-19H,2-4,7,10-12H2,1H3
InChIKeySYHXFOJPXBSXDE-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.38
Rot. Bonds6

About 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine

2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine (PubChem CID 114522221) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
PubChem CID114522221
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
SMILESCNC(CC1=CCCCC1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H25NO/c1-19-18(12-14-6-3-2-4-7-14)15-8-5-9-17(13-15)20-16-10-11-16/h5-6,8-9,13,16,18-19H,2-4,7,10-12H2,1H3
InChIKeySYHXFOJPXBSXDE-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.38
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-fluorophenyl)-N-methylethanamine
CID 116661610
2-(cyclohexen-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 116661619
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 116661553
1-(3-cyclopropyloxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 114521648
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 114604658
1-(4-chloro-3-methoxyphenyl)-2-(cyclohexen-1-yl)-N-methylethanamine
CID 116661458
2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 116661576
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 116661434
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
3-(3-cyclopropyloxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 114522988

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine (CID 114522221) is 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine is CNC(CC1=CCCCC1)c1cccc(OC2CC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine?
The InChIKey is SYHXFOJPXBSXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-19-18(12-14-6-3-2-4-7-14)15-8-5-9-17(13-15)20-16-10-11-16/h5-6,8-9,13,16,18-19H,2-4,7,10-12H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine?
2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine is sourced from PubChem (CID 114522221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).