[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine

C14H21NO2 — CID 114533952

IUPAC[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine
SMILESCOc1ccccc1CC1(CN)CCOC1C
InChIInChI=1S/C14H21NO2/c1-11-14(10-15,7-8-17-11)9-12-5-3-4-6-13(12)16-2/h3-6,11H,7-10,15H2,1-2H3
InChIKeyXAJLNYLJCDPULV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds4

About [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine

[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine (PubChem CID 114533952) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine
PubChem CID114533952
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine
SMILESCOc1ccccc1CC1(CN)CCOC1C
InChIInChI=1S/C14H21NO2/c1-11-14(10-15,7-8-17-11)9-12-5-3-4-6-13(12)16-2/h3-6,11H,7-10,15H2,1-2H3
InChIKeyXAJLNYLJCDPULV-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393215
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534573
[3-[(4-bromo-2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534026
1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine
CID 114534147
[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanamine
CID 114534069
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419799
4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419418
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine (CID 114533952) is [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine is COc1ccccc1CC1(CN)CCOC1C.
What is the InChIKey of [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine?
The InChIKey is XAJLNYLJCDPULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-14(10-15,7-8-17-11)9-12-5-3-4-6-13(12)16-2/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine?
[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 114533952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).