N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine

C18H29NO2 — CID 64738550

IUPACN-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO2/c1-14-8-9-17(12-15(14)2)21-18-7-5-4-6-16(18)13-19-10-11-20-3/h4-7,14-15,17,19H,8-13H2,1-3H3
InChIKeyXOVLDFLGOYQAKX-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.63
Rot. Bonds7

About N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine

N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 64738550) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
PubChem CID64738550
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO2/c1-14-8-9-17(12-15(14)2)21-18-7-5-4-6-16(18)13-19-10-11-20-3/h4-7,14-15,17,19H,8-13H2,1-3H3
InChIKeyXOVLDFLGOYQAKX-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

1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64738951
N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methoxyethanamine
CID 63056655
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939122
N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058738
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine (CID 64738550) is N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1ccccc1OC1CCC(C)C(C)C1.
What is the InChIKey of N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is XOVLDFLGOYQAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-8-9-17(12-15(14)2)21-18-7-5-4-6-16(18)13-19-10-11-20-3/h4-7,14-15,17,19H,8-13H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
N-[[2-(3,4-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-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 64738550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).