[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine

C13H18F2N2O — CID 55030271

IUPAC[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C13H18F2N2O/c14-13(15)18-12-3-1-10(2-4-12)8-17-6-5-11(7-16)9-17/h1-4,11,13H,5-9,16H2
InChIKeyXCJXUFXEQVJBKC-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.07
Rot. Bonds5

About [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine

[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 55030271) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID55030271
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C13H18F2N2O/c14-13(15)18-12-3-1-10(2-4-12)8-17-6-5-11(7-16)9-17/h1-4,11,13H,5-9,16H2
InChIKeyXCJXUFXEQVJBKC-UHFFFAOYSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine 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

(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987
(9aS)-2-[[4-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839933
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 62069126
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486318
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
[1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 81436670
[(3R,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759157

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine (CID 55030271) is [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is XCJXUFXEQVJBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-13(15)18-12-3-1-10(2-4-12)8-17-6-5-11(7-16)9-17/h1-4,11,13H,5-9,16H2.
What are the key properties of [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 256.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 55030271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).