(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine

C12H16F2N2O — CID 116935595

IUPAC(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine
SMILESCOc1cc(F)c(C(N)C2CCNC2)cc1F
InChIInChI=1S/C12H16F2N2O/c1-17-11-5-9(13)8(4-10(11)14)12(15)7-2-3-16-6-7/h4-5,7,12,16H,2-3,6,15H2,1H3
InChIKeyVUIVFCHITYUGPV-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.58
Rot. Bonds3

About (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine

(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine (PubChem CID 116935595) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine
PubChem CID116935595
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine
SMILESCOc1cc(F)c(C(N)C2CCNC2)cc1F
InChIInChI=1S/C12H16F2N2O/c1-17-11-5-9(13)8(4-10(11)14)12(15)7-2-3-16-6-7/h4-5,7,12,16H,2-3,6,15H2,1H3
InChIKeyVUIVFCHITYUGPV-UHFFFAOYSA-N
XLogP1.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935509
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935549
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
3-chloro-5-[(R)-(4-chloro-5-fluoro-2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 46946422
(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314755

Frequently Asked Questions

What is the IUPAC name of (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine?
The IUPAC name of (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine (CID 116935595) is (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine?
The canonical SMILES for (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine is COc1cc(F)c(C(N)C2CCNC2)cc1F.
What is the InChIKey of (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine?
The InChIKey is VUIVFCHITYUGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-17-11-5-9(13)8(4-10(11)14)12(15)7-2-3-16-6-7/h4-5,7,12,16H,2-3,6,15H2,1H3.
What are the key properties of (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine?
(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine has a molecular weight of 242.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116935595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).