[4-(2-ethylphenyl)oxan-4-yl]methanamine

C14H21NO — CID 83822192

IUPAC[4-(2-ethylphenyl)oxan-4-yl]methanamine
SMILESCCc1ccccc1C1(CN)CCOCC1
InChIInChI=1S/C14H21NO/c1-2-12-5-3-4-6-13(12)14(11-15)7-9-16-10-8-14/h3-6H,2,7-11,15H2,1H3
InChIKeyGCZJWQIRROSEOD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds3

About [4-(2-ethylphenyl)oxan-4-yl]methanamine

[4-(2-ethylphenyl)oxan-4-yl]methanamine (PubChem CID 83822192) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(2-ethylphenyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylphenyl)oxan-4-yl]methanamine
PubChem CID83822192
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(2-ethylphenyl)oxan-4-yl]methanamine
SMILESCCc1ccccc1C1(CN)CCOCC1
InChIInChI=1S/C14H21NO/c1-2-12-5-3-4-6-13(12)14(11-15)7-9-16-10-8-14/h3-6H,2,7-11,15H2,1H3
InChIKeyGCZJWQIRROSEOD-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-ethylphenyl)oxan-3-yl]methanamine
CID 83822197
2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
CID 83822203
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437
1-[1-(2-ethylphenyl)cyclopropyl]-N-methylmethanamine
CID 105425246
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
[4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 82732096
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742
[2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 65006500
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
CID 82084431
3-(2-ethylphenyl)-3-methyldioxirane
CID 140599569

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylphenyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-ethylphenyl)oxan-4-yl]methanamine (CID 83822192) is [4-(2-ethylphenyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-ethylphenyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-ethylphenyl)oxan-4-yl]methanamine is CCc1ccccc1C1(CN)CCOCC1.
What is the InChIKey of [4-(2-ethylphenyl)oxan-4-yl]methanamine?
The InChIKey is GCZJWQIRROSEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-12-5-3-4-6-13(12)14(11-15)7-9-16-10-8-14/h3-6H,2,7-11,15H2,1H3.
What are the key properties of [4-(2-ethylphenyl)oxan-4-yl]methanamine?
[4-(2-ethylphenyl)oxan-4-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylphenyl)oxan-4-yl]methanamine is sourced from PubChem (CID 83822192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).