(2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine

C14H21NO3 — CID 116810627

IUPAC(2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine
SMILESCOc1cccc(OC)c1C(N)C1(C)CCCO1
InChIInChI=1S/C14H21NO3/c1-14(8-5-9-18-14)13(15)12-10(16-2)6-4-7-11(12)17-3/h4,6-7,13H,5,8-9,15H2,1-3H3
InChIKeyKRTKTDIOTGZYNF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine

(2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine (PubChem CID 116810627) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine
PubChem CID116810627
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine
SMILESCOc1cccc(OC)c1C(N)C1(C)CCCO1
InChIInChI=1S/C14H21NO3/c1-14(8-5-9-18-14)13(15)12-10(16-2)6-4-7-11(12)17-3/h4,6-7,13H,5,8-9,15H2,1-3H3
InChIKeyKRTKTDIOTGZYNF-UHFFFAOYSA-N
XLogP2.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
(2,6-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105052053
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196
(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine
CID 55278131
(2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301746
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
CID 113388930
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
[(2,6-dimethoxyphenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276635

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine?
The IUPAC name of (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine (CID 116810627) is (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine is COc1cccc(OC)c1C(N)C1(C)CCCO1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine?
The InChIKey is KRTKTDIOTGZYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(8-5-9-18-14)13(15)12-10(16-2)6-4-7-11(12)17-3/h4,6-7,13H,5,8-9,15H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine?
(2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 116810627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).