[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine

C13H14F2N2 — CID 114195967

IUPAC[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine
SMILESCc1c(CN)ccn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2/c1-9-11(7-16)4-5-17(9)8-10-2-3-12(14)13(15)6-10/h2-6H,7-8,16H2,1H3
InChIKeyYPGJSPHHWTXFJS-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.58
Rot. Bonds3

About [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine

[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine (PubChem CID 114195967) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine
PubChem CID114195967
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine
SMILESCc1c(CN)ccn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2/c1-9-11(7-16)4-5-17(9)8-10-2-3-12(14)13(15)6-10/h2-6H,7-8,16H2,1H3
InChIKeyYPGJSPHHWTXFJS-UHFFFAOYSA-N
XLogP2.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
CID 82920553
2-[1-[(3,4-difluorophenyl)methyl]indol-4-yl]ethanamine
CID 82926195
[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine
CID 107878759
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722
(1-ethyl-2-methylpyrrol-3-yl)methanamine
CID 130479626
ethyl 1-[(3,4-difluorophenyl)methyl]pyrrole-2-carboxylate
CID 105422073
1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole
CID 142758293
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
3-[[3-(aminomethyl)-4-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 114012012
1-[(3,4-difluorophenyl)methyl]-4-methylsulfanylindol-6-amine
CID 82917028
ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 169248811

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine?
The IUPAC name of [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine (CID 114195967) is [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine?
The canonical SMILES for [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine is Cc1c(CN)ccn1Cc1ccc(F)c(F)c1.
What is the InChIKey of [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine?
The InChIKey is YPGJSPHHWTXFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-9-11(7-16)4-5-17(9)8-10-2-3-12(14)13(15)6-10/h2-6H,7-8,16H2,1H3.
What are the key properties of [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine?
[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine has a molecular weight of 236.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine is sourced from PubChem (CID 114195967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).