N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine

C18H29NO2 — CID 64735125

IUPACN-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(OC2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H29NO2/c1-14-9-15(2)11-18(10-14)21-17-6-4-5-16(12-17)13-19-7-8-20-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3
InChIKeyIPWJXMSYPFFVHP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.63
Rot. Bonds7

About N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine

N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 64735125) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
PubChem CID64735125
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(OC2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H29NO2/c1-14-9-15(2)11-18(10-14)21-17-6-4-5-16(12-17)13-19-7-8-20-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3
InChIKeyIPWJXMSYPFFVHP-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[3-(3,5-dimethylcyclohexyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 66349500
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 63863940
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 79562169
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine
CID 64730838
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine (CID 64735125) is N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(OC2CC(C)CC(C)C2)c1.
What is the InChIKey of N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is IPWJXMSYPFFVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-9-15(2)11-18(10-14)21-17-6-4-5-16(12-17)13-19-7-8-20-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3.
What are the key properties of N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 64735125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).