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

C15H19FN2 — CID 114346652

IUPACN-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1ccc(F)cc1C
InChIInChI=1S/C15H19FN2/c1-3-17-10-15-5-4-8-18(15)11-13-6-7-14(16)9-12(13)2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyLZNCTGAWCJELKG-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.09
Rot. Bonds5

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

N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 114346652) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID114346652
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC NameN-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1Cc1ccc(F)cc1C
InChIInChI=1S/C15H19FN2/c1-3-17-10-15-5-4-8-18(15)11-13-6-7-14(16)9-12(13)2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyLZNCTGAWCJELKG-UHFFFAOYSA-N
XLogP3.09
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 114346651
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402923
N-[[1-[(2-chloro-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 102617084
N-[[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79702420
1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 114652501
N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79231737
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66443439
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402723
1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole
CID 114349214
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine (CID 114346652) is N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1Cc1ccc(F)cc1C.
What is the InChIKey of N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is LZNCTGAWCJELKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-17-10-15-5-4-8-18(15)11-13-6-7-14(16)9-12(13)2/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 246.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 114346652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).