N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C18H29NO2 — CID 63994874

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCOc1cc(CNC2CCC(C)CC2C)ccc1OC
InChIInChI=1S/C18H29NO2/c1-5-21-18-11-15(7-9-17(18)20-4)12-19-16-8-6-13(2)10-14(16)3/h7,9,11,13-14,16,19H,5-6,8,10,12H2,1-4H3
InChIKeyLVIKEIWCOLVRFY-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.01
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63994874) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63994874
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCOc1cc(CNC2CCC(C)CC2C)ccc1OC
InChIInChI=1S/C18H29NO2/c1-5-21-18-11-15(7-9-17(18)20-4)12-19-16-8-6-13(2)10-14(16)3/h7,9,11,13-14,16,19H,5-6,8,10,12H2,1-4H3
InChIKeyLVIKEIWCOLVRFY-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774950
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787523
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
1-[(3S,4R)-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97101122
1-[(3R,4S)-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97101125
cyclopropyl-[(3R,4R)-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97029688
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412254
N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601702
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63994874) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is CCOc1cc(CNC2CCC(C)CC2C)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is LVIKEIWCOLVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-21-18-11-15(7-9-17(18)20-4)12-19-16-8-6-13(2)10-14(16)3/h7,9,11,13-14,16,19H,5-6,8,10,12H2,1-4H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63994874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).