N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine

C18H29NO2 — CID 63863940

IUPACN-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCCC1CCCCC1Oc1cccc(CNCCOC)c1
InChIInChI=1S/C18H29NO2/c1-3-16-8-4-5-10-18(16)21-17-9-6-7-15(13-17)14-19-11-12-20-2/h6-7,9,13,16,18-19H,3-5,8,10-12,14H2,1-2H3
InChIKeyWHVMIZUKKXQSLR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.77
Rot. Bonds8

About N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine

N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 63863940) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
PubChem CID63863940
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCCC1CCCCC1Oc1cccc(CNCCOC)c1
InChIInChI=1S/C18H29NO2/c1-3-16-8-4-5-10-18(16)21-17-9-6-7-15(13-17)14-19-11-12-20-2/h6-7,9,13,16,18-19H,3-5,8,10-12,14H2,1-2H3
InChIKeyWHVMIZUKKXQSLR-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine 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

N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 63862466
N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 64735125
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 63863376
N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 79562169
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylcyclopentan-1-ol
CID 66349318

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine (CID 63863940) is N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine is CCC1CCCCC1Oc1cccc(CNCCOC)c1.
What is the InChIKey of N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is WHVMIZUKKXQSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-16-8-4-5-10-18(16)21-17-9-6-7-15(13-17)14-19-11-12-20-2/h6-7,9,13,16,18-19H,3-5,8,10-12,14H2,1-2H3.
What are the key properties of N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63863940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).