[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine

C14H20F2N2O — CID 115486318

IUPAC[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O/c1-10-6-12(7-17)9-18(10)8-11-2-4-13(5-3-11)19-14(15)16/h2-5,10,12,14H,6-9,17H2,1H3
InChIKeyQLMNEYRAAJEJOK-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.46
Rot. Bonds5

About [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 115486318) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID115486318
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O/c1-10-6-12(7-17)9-18(10)8-11-2-4-13(5-3-11)19-14(15)16/h2-5,10,12,14H,6-9,17H2,1H3
InChIKeyQLMNEYRAAJEJOK-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 55030271
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486401
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120842955
[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486226
6-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 134435302
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966626
[1-[(4-methoxy-3-nitrophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486193
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987
[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486064
5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120843047
[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 104792901

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine (CID 115486318) is [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)CN1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is QLMNEYRAAJEJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10-6-12(7-17)9-18(10)8-11-2-4-13(5-3-11)19-14(15)16/h2-5,10,12,14H,6-9,17H2,1H3.
What are the key properties of [1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 270.32 g/mol, XLogP of 2.46, 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]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).