2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine

C19H31NO — CID 82933659

IUPAC2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
SMILESCOCCNCC(c1cccc(C)c1)C1CCCCCC1
InChIInChI=1S/C19H31NO/c1-16-8-7-11-18(14-16)19(15-20-12-13-21-2)17-9-5-3-4-6-10-17/h7-8,11,14,17,19-20H,3-6,9-10,12-13,15H2,1-2H3
InChIKeyWLYCZZZSRGLPAH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.29
Rot. Bonds7

About 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine

2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine (PubChem CID 82933659) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
PubChem CID82933659
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
SMILESCOCCNCC(c1cccc(C)c1)C1CCCCCC1
InChIInChI=1S/C19H31NO/c1-16-8-7-11-18(14-16)19(15-20-12-13-21-2)17-9-5-3-4-6-10-17/h7-8,11,14,17,19-20H,3-6,9-10,12-13,15H2,1-2H3
InChIKeyWLYCZZZSRGLPAH-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine 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

2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82936231
2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82937094
N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 79436985
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82934214
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine
CID 79422692
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82936076
2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 116662419
4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
2-(3-bromophenyl)-2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)ethanamine
CID 79431152
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine (CID 82933659) is 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine is COCCNCC(c1cccc(C)c1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is WLYCZZZSRGLPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-16-8-7-11-18(14-16)19(15-20-12-13-21-2)17-9-5-3-4-6-10-17/h7-8,11,14,17,19-20H,3-6,9-10,12-13,15H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine?
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 82933659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).