1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine

C14H17FN2 — CID 114346651

IUPAC1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1Cc1ccc(F)cc1C
InChIInChI=1S/C14H17FN2/c1-11-8-13(15)6-5-12(11)10-17-7-3-4-14(17)9-16-2/h3-8,16H,9-10H2,1-2H3
InChIKeyOUIWYCWITXPABX-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.70
Rot. Bonds4

About 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine

1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine (PubChem CID 114346651) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
PubChem CID114346651
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1Cc1ccc(F)cc1C
InChIInChI=1S/C14H17FN2/c1-11-8-13(15)6-5-12(11)10-17-7-3-4-14(17)9-16-2/h3-8,16H,9-10H2,1-2H3
InChIKeyOUIWYCWITXPABX-UHFFFAOYSA-N
XLogP2.70
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 114346652
1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 114652501
4-fluoro-3-[[2-(methylaminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 66403489
1-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 79702419
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
N-[[1-[(2-chloro-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 102617084
1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole
CID 114349214
1-[1-[(3-fluoro-5-nitrophenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 112648647
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402900
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
4-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 71120428

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine (CID 114346651) is 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine is CNCc1cccn1Cc1ccc(F)cc1C.
What is the InChIKey of 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The InChIKey is OUIWYCWITXPABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-11-8-13(15)6-5-12(11)10-17-7-3-4-14(17)9-16-2/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine?
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine has a molecular weight of 232.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114346651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).