[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C14H20Cl2F2N2O — CID 120771938

IUPAC[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl
InChIInChI=1S/C14H19ClF2N2O.ClH/c1-14(8-18)4-5-19(9-14)7-10-6-11(15)2-3-12(10)20-13(16)17;/h2-3,6,13H,4-5,7-9,18H2,1H3;1H
InChIKeyGDDFXFNBSOVOAO-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.53
Rot. Bonds5

About [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120771938) has the molecular formula C14H20Cl2F2N2O and a molecular weight of 341.23 g/mol. Its IUPAC name is [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120771938
Molecular FormulaC14H20Cl2F2N2O
Molecular Weight341.23 g/mol
Exact Mass340.09
IUPAC Name[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl
InChIInChI=1S/C14H19ClF2N2O.ClH/c1-14(8-18)4-5-19(9-14)7-10-6-11(15)2-3-12(10)20-13(16)17;/h2-3,6,13H,4-5,7-9,18H2,1H3;1H
InChIKeyGDDFXFNBSOVOAO-UHFFFAOYSA-N
XLogP3.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(difluoromethoxy)phenyl]methanone
CID 120803783
[1-[(5-chloro-2-nitrophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120771340
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119917695
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
[1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methylpiperidin-3-yl]methanol
CID 84593559
2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 60669791
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920229
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076

Frequently Asked Questions

What is the IUPAC name of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120771938) is [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl.
What is the InChIKey of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is GDDFXFNBSOVOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O.ClH/c1-14(8-18)4-5-19(9-14)7-10-6-11(15)2-3-12(10)20-13(16)17;/h2-3,6,13H,4-5,7-9,18H2,1H3;1H.
What are the key properties of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 341.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120771938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).