1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine

C14H17FN2 — CID 114346672

IUPAC1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine
SMILESCc1cc(F)ccc1Cn1ccc(C(C)N)c1
InChIInChI=1S/C14H17FN2/c1-10-7-14(15)4-3-12(10)8-17-6-5-13(9-17)11(2)16/h3-7,9,11H,8,16H2,1-2H3
InChIKeyVEXHAJIZDBKFLC-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.00
Rot. Bonds3

About 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine

1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine (PubChem CID 114346672) 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-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine
PubChem CID114346672
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine
SMILESCc1cc(F)ccc1Cn1ccc(C(C)N)c1
InChIInChI=1S/C14H17FN2/c1-10-7-14(15)4-3-12(10)8-17-6-5-13(9-17)11(2)16/h3-7,9,11H,8,16H2,1-2H3
InChIKeyVEXHAJIZDBKFLC-UHFFFAOYSA-N
XLogP3.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 114346680
1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 79102391
1-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79098431
1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 105372607
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894045
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345722
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66397357
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108322
1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 105375157
1-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109874
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine (CID 114346672) is 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine is Cc1cc(F)ccc1Cn1ccc(C(C)N)c1.
What is the InChIKey of 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine?
The InChIKey is VEXHAJIZDBKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10-7-14(15)4-3-12(10)8-17-6-5-13(9-17)11(2)16/h3-7,9,11H,8,16H2,1-2H3.
What are the key properties of 1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine?
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine has a molecular weight of 232.30 g/mol, XLogP of 3.00, 3 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-3-yl]ethanamine is sourced from PubChem (CID 114346672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).