(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine

C13H19NO2 — CID 79758244

IUPAC(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCOc1ccc(C(N)C2CCOC2C)cc1
InChIInChI=1S/C13H19NO2/c1-9-12(7-8-16-9)13(14)10-3-5-11(15-2)6-4-10/h3-6,9,12-13H,7-8,14H2,1-2H3
InChIKeyZFZZUMVXOKDGMV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds3

About (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine

(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 79758244) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
PubChem CID79758244
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCOc1ccc(C(N)C2CCOC2C)cc1
InChIInChI=1S/C13H19NO2/c1-9-12(7-8-16-9)13(14)10-3-5-11(15-2)6-4-10/h3-6,9,12-13H,7-8,14H2,1-2H3
InChIKeyZFZZUMVXOKDGMV-UHFFFAOYSA-N
XLogP2.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
CID 79759527
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758080
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine
CID 104658180
5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 79759243
(4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65155038
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632
(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol
CID 79755914
3-[bromo-(4-ethoxyphenyl)methyl]-2-methyloxolane
CID 79763438
(4-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093138

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine (CID 79758244) is (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine is COc1ccc(C(N)C2CCOC2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is ZFZZUMVXOKDGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-12(7-8-16-9)13(14)10-3-5-11(15-2)6-4-10/h3-6,9,12-13H,7-8,14H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine?
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 79758244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).