1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine

C12H12F2N2 — CID 62339075

IUPAC1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccc[nH]2)c(F)c1
InChIInChI=1S/C12H12F2N2/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15-16H,7-8H2
InChIKeyYTXQWAWRGZIKBZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.58
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine

1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine (PubChem CID 62339075) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine
PubChem CID62339075
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccc[nH]2)c(F)c1
InChIInChI=1S/C12H12F2N2/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15-16H,7-8H2
InChIKeyYTXQWAWRGZIKBZ-UHFFFAOYSA-N
XLogP2.58
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 55114176
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
CID 115211908
2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
CID 103248413
CID 58696093
CID 58696093
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 60957867
1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 79979738
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
CID 115250791
N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine
CID 62222221
1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79495143
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine (CID 62339075) is 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine is Fc1ccc(CNCc2ccc[nH]2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The InChIKey is YTXQWAWRGZIKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15-16H,7-8H2.
What are the key properties of 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine has a molecular weight of 222.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine is sourced from PubChem (CID 62339075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).