4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine

C16H25NO — CID 782105

IUPAC4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H25NO/c1-3-13-4-8-15(9-5-13)17-12-14-6-10-16(18-2)11-7-14/h6-7,10-11,13,15,17H,3-5,8-9,12H2,1-2H3
InChIKeyUIZOCCPJRKFBDZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.75
Rot. Bonds5

About 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine

4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 782105) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID782105
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H25NO/c1-3-13-4-8-15(9-5-13)17-12-14-6-10-16(18-2)11-7-14/h6-7,10-11,13,15,17H,3-5,8-9,12H2,1-2H3
InChIKeyUIZOCCPJRKFBDZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 60958128
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine (CID 782105) is 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine is CCC1CCC(NCc2ccc(OC)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is UIZOCCPJRKFBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-4-8-15(9-5-13)17-12-14-6-10-16(18-2)11-7-14/h6-7,10-11,13,15,17H,3-5,8-9,12H2,1-2H3.
What are the key properties of 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine?
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 782105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).