N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine

C18H29NO2 — CID 64762397

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C(C)NC2CC(C)CCC2C)c(OC)c1
InChIInChI=1S/C18H29NO2/c1-12-6-7-13(2)17(10-12)19-14(3)16-9-8-15(20-4)11-18(16)21-5/h8-9,11-14,17,19H,6-7,10H2,1-5H3
InChIKeyLYBMRHBAYZLXMW-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.18
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64762397) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64762397
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C(C)NC2CC(C)CCC2C)c(OC)c1
InChIInChI=1S/C18H29NO2/c1-12-6-7-13(2)17(10-12)19-14(3)16-9-8-15(20-4)11-18(16)21-5/h8-9,11-14,17,19H,6-7,10H2,1-5H3
InChIKeyLYBMRHBAYZLXMW-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64760413
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920557
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64761855
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270
2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373172
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81370541
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine (CID 64762397) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine is COc1ccc(C(C)NC2CC(C)CCC2C)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is LYBMRHBAYZLXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-6-7-13(2)17(10-12)19-14(3)16-9-8-15(20-4)11-18(16)21-5/h8-9,11-14,17,19H,6-7,10H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64762397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).