N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine

C18H29NO — CID 64760413

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C)cc1C(C)NC1CC(C)CCC1C
InChIInChI=1S/C18H29NO/c1-12-7-9-18(20-5)16(10-12)15(4)19-17-11-13(2)6-8-14(17)3/h7,9-10,13-15,17,19H,6,8,11H2,1-5H3
InChIKeyCYXVNRJQZASBOC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.48
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64760413) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64760413
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C)cc1C(C)NC1CC(C)CCC1C
InChIInChI=1S/C18H29NO/c1-12-7-9-18(20-5)16(10-12)15(4)19-17-11-13(2)6-8-14(17)3/h7,9-10,13-15,17,19H,6,8,11H2,1-5H3
InChIKeyCYXVNRJQZASBOC-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64762397
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64761855
2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373172
N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
CID 64760687
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892474

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine (CID 64760413) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine is COc1ccc(C)cc1C(C)NC1CC(C)CCC1C.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is CYXVNRJQZASBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-7-9-18(20-5)16(10-12)15(4)19-17-11-13(2)6-8-14(17)3/h7,9-10,13-15,17,19H,6,8,11H2,1-5H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64760413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).