1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride

C13H19ClF2N2 — CID 120834027

IUPAC1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2ccc(C(F)F)cc2)C1.Cl
InChIInChI=1S/C13H18F2N2.ClH/c1-16-12-6-7-17(9-12)8-10-2-4-11(5-3-10)13(14)15;/h2-5,12-13,16H,6-9H2,1H3;1H
InChIKeyKQMKFEVHXNMOTC-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.84
Rot. Bonds4

About 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride

1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120834027) has the molecular formula C13H19ClF2N2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120834027
Molecular FormulaC13H19ClF2N2
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2ccc(C(F)F)cc2)C1.Cl
InChIInChI=1S/C13H18F2N2.ClH/c1-16-12-6-7-17(9-12)8-10-2-4-11(5-3-10)13(14)15;/h2-5,12-13,16H,6-9H2,1H3;1H
InChIKeyKQMKFEVHXNMOTC-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
CID 115299984
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 115299969
1-[(4-ethoxy-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834084
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine
CID 115524640
1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 120834127
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 120834027) is 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride is CNC1CCN(Cc2ccc(C(F)F)cc2)C1.Cl.
What is the InChIKey of 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is KQMKFEVHXNMOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2.ClH/c1-16-12-6-7-17(9-12)8-10-2-4-11(5-3-10)13(14)15;/h2-5,12-13,16H,6-9H2,1H3;1H.
What are the key properties of 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120834027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).