[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine

C16H25NO — CID 112607468

IUPAC[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
SMILESCCC1CCCC(Oc2c(C)cccc2CN)C1
InChIInChI=1S/C16H25NO/c1-3-13-7-5-9-15(10-13)18-16-12(2)6-4-8-14(16)11-17/h4,6,8,13,15H,3,5,7,9-11,17H2,1-2H3
InChIKeyNANPJPFEUVRQSY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.80
Rot. Bonds4

About [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine

[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine (PubChem CID 112607468) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
PubChem CID112607468
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
SMILESCCC1CCCC(Oc2c(C)cccc2CN)C1
InChIInChI=1S/C16H25NO/c1-3-13-7-5-9-15(10-13)18-16-12(2)6-4-8-14(16)11-17/h4,6,8,13,15H,3,5,7,9-11,17H2,1-2H3
InChIKeyNANPJPFEUVRQSY-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde
CID 112610922
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777491
N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952728
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958688
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
[4-(3-ethylcyclohexyl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81250323
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532709
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952581
[3-chloro-2-(3-methylsulfonylcyclohexyl)oxyphenyl]methanamine
CID 115951963
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine?
The IUPAC name of [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine (CID 112607468) is [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine.
What is the SMILES notation for [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine?
The canonical SMILES for [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine is CCC1CCCC(Oc2c(C)cccc2CN)C1.
What is the InChIKey of [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine?
The InChIKey is NANPJPFEUVRQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-7-5-9-15(10-13)18-16-12(2)6-4-8-14(16)11-17/h4,6,8,13,15H,3,5,7,9-11,17H2,1-2H3.
What are the key properties of [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine?
[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine is sourced from PubChem (CID 112607468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).