[3-(2-ethylphenyl)oxan-3-yl]methanamine

C14H21NO — CID 83822197

IUPAC[3-(2-ethylphenyl)oxan-3-yl]methanamine
SMILESCCc1ccccc1C1(CN)CCCOC1
InChIInChI=1S/C14H21NO/c1-2-12-6-3-4-7-13(12)14(10-15)8-5-9-16-11-14/h3-4,6-7H,2,5,8-11,15H2,1H3
InChIKeyLWMBSCGVNLRLNH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds3

About [3-(2-ethylphenyl)oxan-3-yl]methanamine

[3-(2-ethylphenyl)oxan-3-yl]methanamine (PubChem CID 83822197) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [3-(2-ethylphenyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylphenyl)oxan-3-yl]methanamine
PubChem CID83822197
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[3-(2-ethylphenyl)oxan-3-yl]methanamine
SMILESCCc1ccccc1C1(CN)CCCOC1
InChIInChI=1S/C14H21NO/c1-2-12-6-3-4-7-13(12)14(10-15)8-5-9-16-11-14/h3-4,6-7H,2,5,8-11,15H2,1H3
InChIKeyLWMBSCGVNLRLNH-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

[4-(2-ethylphenyl)oxan-4-yl]methanamine
CID 83822192
2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
CID 83822203
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
[3-(4-bromophenyl)oxan-3-yl]methanamine
CID 83826005
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
1-[1-(2-ethylphenyl)cyclopropyl]-N-methylmethanamine
CID 105425246
[2-[1-(methylsulfonylmethyl)cyclobutyl]phenyl]methanamine
CID 115047157
(3-phenyloxan-3-yl)methanol
CID 168870348
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
[3-[3-(trifluoromethyl)phenyl]oxan-3-yl]methanamine
CID 83825736
3-(2-hydroxyphenyl)oxan-3-ol
CID 105447976

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylphenyl)oxan-3-yl]methanamine?
The IUPAC name of [3-(2-ethylphenyl)oxan-3-yl]methanamine (CID 83822197) is [3-(2-ethylphenyl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(2-ethylphenyl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(2-ethylphenyl)oxan-3-yl]methanamine is CCc1ccccc1C1(CN)CCCOC1.
What is the InChIKey of [3-(2-ethylphenyl)oxan-3-yl]methanamine?
The InChIKey is LWMBSCGVNLRLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-12-6-3-4-7-13(12)14(10-15)8-5-9-16-11-14/h3-4,6-7H,2,5,8-11,15H2,1H3.
What are the key properties of [3-(2-ethylphenyl)oxan-3-yl]methanamine?
[3-(2-ethylphenyl)oxan-3-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 [3-(2-ethylphenyl)oxan-3-yl]methanamine is sourced from PubChem (CID 83822197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).