2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline

C13H18F2N2O2 — CID 106637305

IUPAC2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOc1ccc(OC(F)F)c(NCC2CCCN2)c1
InChIInChI=1S/C13H18F2N2O2/c1-18-10-4-5-12(19-13(14)15)11(7-10)17-8-9-3-2-6-16-9/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3
InChIKeyFNNPNUNCYXTIMO-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.46
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline

2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 106637305) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID106637305
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOc1ccc(OC(F)F)c(NCC2CCCN2)c1
InChIInChI=1S/C13H18F2N2O2/c1-18-10-4-5-12(19-13(14)15)11(7-10)17-8-9-3-2-6-16-9/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3
InChIKeyFNNPNUNCYXTIMO-UHFFFAOYSA-N
XLogP2.46
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline
CID 63740019
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 66984484
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
CID 81304983
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
CID 81119085
N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
CID 43706019
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
(3S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775759
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline (CID 106637305) is 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline is COc1ccc(OC(F)F)c(NCC2CCCN2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is FNNPNUNCYXTIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-18-10-4-5-12(19-13(14)15)11(7-10)17-8-9-3-2-6-16-9/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 272.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 106637305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).