N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine

C13H19NO3 — CID 82716607

IUPACN-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
SMILESCOc1ccc(NC2CCOC2C)cc1OC
InChIInChI=1S/C13H19NO3/c1-9-11(6-7-17-9)14-10-4-5-12(15-2)13(8-10)16-3/h4-5,8-9,11,14H,6-7H2,1-3H3
InChIKeyLCFJQPOATUGGPS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.29
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine

N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine (PubChem CID 82716607) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
PubChem CID82716607
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
SMILESCOc1ccc(NC2CCOC2C)cc1OC
InChIInChI=1S/C13H19NO3/c1-9-11(6-7-17-9)14-10-4-5-12(15-2)13(8-10)16-3/h4-5,8-9,11,14H,6-7H2,1-3H3
InChIKeyLCFJQPOATUGGPS-UHFFFAOYSA-N
XLogP2.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-2-methyloxolan-3-amine
CID 82726780
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyloxolan-3-amine
CID 82727091
2-[2-methoxy-5-[(2-methyloxolan-3-yl)amino]phenoxy]ethanol
CID 82727171
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
(2S,3R)-N-(3-bromo-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358653
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
2-bromo-4-[(2-methyloxolan-3-yl)amino]benzenecarbothioamide
CID 107278017
4-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82726591
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
3,4-dimethoxy-N-[(1S,2S)-2-nitrocyclohexyl]aniline
CID 132916970

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine (CID 82716607) is N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine is COc1ccc(NC2CCOC2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine?
The InChIKey is LCFJQPOATUGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-11(6-7-17-9)14-10-4-5-12(15-2)13(8-10)16-3/h4-5,8-9,11,14H,6-7H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine?
N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine has a molecular weight of 237.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 82716607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).