2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine

C17H27NO — CID 106259721

IUPAC2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCOc1ccccc1CCNCC1CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-14-6-5-7-15(12-14)13-18-11-10-16-8-3-4-9-17(16)19-2/h3-4,8-9,14-15,18H,5-7,10-13H2,1-2H3
InChIKeyGQUGIMQTJSCCCL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine

2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 106259721) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
PubChem CID106259721
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCOc1ccccc1CCNCC1CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-14-6-5-7-15(12-14)13-18-11-10-16-8-3-4-9-17(16)19-2/h3-4,8-9,14-15,18H,5-7,10-13H2,1-2H3
InChIKeyGQUGIMQTJSCCCL-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106259714
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
CID 106261580
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
1-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103808128
trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768564

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine (CID 106259721) is 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine is COc1ccccc1CCNCC1CCCC(C)C1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is GQUGIMQTJSCCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-6-5-7-15(12-14)13-18-11-10-16-8-3-4-9-17(16)19-2/h3-4,8-9,14-15,18H,5-7,10-13H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106259721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).