2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine

C18H27NO — CID 43784273

IUPAC2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
SMILESC=CCOc1ccccc1CNC1CCCCC1CC
InChIInChI=1S/C18H27NO/c1-3-13-20-18-12-8-6-10-16(18)14-19-17-11-7-5-9-15(17)4-2/h3,6,8,10,12,15,17,19H,1,4-5,7,9,11,13-14H2,2H3
InChIKeyYBHABEUNYKAEEN-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.31
Rot. Bonds7

About 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine

2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 43784273) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID43784273
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
SMILESC=CCOc1ccccc1CNC1CCCCC1CC
InChIInChI=1S/C18H27NO/c1-3-13-20-18-12-8-6-10-16(18)14-19-17-11-7-5-9-15(17)4-2/h3,6,8,10,12,15,17,19H,1,4-5,7,9,11,13-14H2,2H3
InChIKeyYBHABEUNYKAEEN-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43434087
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine (CID 43784273) is 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine is C=CCOc1ccccc1CNC1CCCCC1CC.
What is the InChIKey of 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is YBHABEUNYKAEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-13-20-18-12-8-6-10-16(18)14-19-17-11-7-5-9-15(17)4-2/h3,6,8,10,12,15,17,19H,1,4-5,7,9,11,13-14H2,2H3.
What are the key properties of 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine?
2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43784273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).