N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine

C16H25NO — CID 112818440

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
SMILESCCN(Cc1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-3-17(15-7-5-4-6-8-15)13-14-9-11-16(18-2)12-10-14/h9-12,15H,3-8,13H2,1-2H3
InChIKeyLJZWOROKHUUZKQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds5

About N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine

N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine (PubChem CID 112818440) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
PubChem CID112818440
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
SMILESCCN(Cc1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-3-17(15-7-5-4-6-8-15)13-14-9-11-16(18-2)12-10-14/h9-12,15H,3-8,13H2,1-2H3
InChIKeyLJZWOROKHUUZKQ-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
CID 60687002
3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
CID 81149127
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
CID 138519134
N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
CID 142720743
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995
5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339590
[(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol
CID 154928225
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
CID 65325687
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine (CID 112818440) is N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine is CCN(Cc1ccc(OC)cc1)C1CCCCC1.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine?
The InChIKey is LJZWOROKHUUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-17(15-7-5-4-6-8-15)13-14-9-11-16(18-2)12-10-14/h9-12,15H,3-8,13H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine?
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 112818440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).