[4-(2-methylphenyl)oxan-3-yl]methanamine

C13H19NO — CID 84778691

IUPAC[4-(2-methylphenyl)oxan-3-yl]methanamine
SMILESCc1ccccc1C1CCOCC1CN
InChIInChI=1S/C13H19NO/c1-10-4-2-3-5-12(10)13-6-7-15-9-11(13)8-14/h2-5,11,13H,6-9,14H2,1H3
InChIKeyQADRNVDQKHKWGD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.07
Rot. Bonds2

About [4-(2-methylphenyl)oxan-3-yl]methanamine

[4-(2-methylphenyl)oxan-3-yl]methanamine (PubChem CID 84778691) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [4-(2-methylphenyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylphenyl)oxan-3-yl]methanamine
PubChem CID84778691
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[4-(2-methylphenyl)oxan-3-yl]methanamine
SMILESCc1ccccc1C1CCOCC1CN
InChIInChI=1S/C13H19NO/c1-10-4-2-3-5-12(10)13-6-7-15-9-11(13)8-14/h2-5,11,13H,6-9,14H2,1H3
InChIKeyQADRNVDQKHKWGD-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenyloxan-3-yl)methanamine
CID 84772062
[4-(2-methylphenyl)thian-3-yl]methanamine
CID 84788259
[4-(2-methylphenyl)-1,1-dioxothiolan-3-yl]methanamine
CID 84799841
[4-(4-methoxyphenyl)oxan-3-yl]methanamine
CID 84788082
[4-(2-methylphenyl)oxolan-2-yl]methanamine
CID 155895844
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119611682
3-(fluoromethyl)-4-(2-methylphenyl)piperidine
CID 23157157
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
N-methyl-3-[(2-methylphenyl)methylsulfanyl]oxan-4-amine
CID 64634212

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)oxan-3-yl]methanamine?
The IUPAC name of [4-(2-methylphenyl)oxan-3-yl]methanamine (CID 84778691) is [4-(2-methylphenyl)oxan-3-yl]methanamine.
What is the SMILES notation for [4-(2-methylphenyl)oxan-3-yl]methanamine?
The canonical SMILES for [4-(2-methylphenyl)oxan-3-yl]methanamine is Cc1ccccc1C1CCOCC1CN.
What is the InChIKey of [4-(2-methylphenyl)oxan-3-yl]methanamine?
The InChIKey is QADRNVDQKHKWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-4-2-3-5-12(10)13-6-7-15-9-11(13)8-14/h2-5,11,13H,6-9,14H2,1H3.
What are the key properties of [4-(2-methylphenyl)oxan-3-yl]methanamine?
[4-(2-methylphenyl)oxan-3-yl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)oxan-3-yl]methanamine is sourced from PubChem (CID 84778691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).