1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine

C16H21FN2 — CID 105375157

IUPAC1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine
SMILESCCC(N)Cc1ccn(Cc2cc(F)ccc2C)c1
InChIInChI=1S/C16H21FN2/c1-3-16(18)8-13-6-7-19(10-13)11-14-9-15(17)5-4-12(14)2/h4-7,9-10,16H,3,8,11,18H2,1-2H3
InChIKeyQLRFPIJNOBKVSQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.26
Rot. Bonds5

About 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine

1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine (PubChem CID 105375157) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine
PubChem CID105375157
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine
SMILESCCC(N)Cc1ccn(Cc2cc(F)ccc2C)c1
InChIInChI=1S/C16H21FN2/c1-3-16(18)8-13-6-7-19(10-13)11-14-9-15(17)5-4-12(14)2/h4-7,9-10,16H,3,8,11,18H2,1-2H3
InChIKeyQLRFPIJNOBKVSQ-UHFFFAOYSA-N
XLogP3.26
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66399693
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 105372657
1-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 79709515
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404476
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 66397584
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66397357
1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 105372607
2-[[3-(2-aminobutyl)pyrrol-1-yl]methyl]benzonitrile
CID 66399905
1-[1-[(4-tert-butylphenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66398431
1-[1-[(3-bromophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66399282
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-[(2,4-difluorophenyl)methyl]-3-ethylpyrrole
CID 91455991

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine?
The IUPAC name of 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine (CID 105375157) is 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine is CCC(N)Cc1ccn(Cc2cc(F)ccc2C)c1.
What is the InChIKey of 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine?
The InChIKey is QLRFPIJNOBKVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-3-16(18)8-13-6-7-19(10-13)11-14-9-15(17)5-4-12(14)2/h4-7,9-10,16H,3,8,11,18H2,1-2H3.
What are the key properties of 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine?
1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]butan-2-amine is sourced from PubChem (CID 105375157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).