N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine

C14H17FN2 — CID 66413076

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine
SMILESCCn1cccc1CNCc1cccc(F)c1
InChIInChI=1S/C14H17FN2/c1-2-17-8-4-7-14(17)11-16-10-12-5-3-6-13(15)9-12/h3-9,16H,2,10-11H2,1H3
InChIKeyCVPNPQIHPRPTDE-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.94
Rot. Bonds5

About N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine

N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 66413076) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine
PubChem CID66413076
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine
SMILESCCn1cccc1CNCc1cccc(F)c1
InChIInChI=1S/C14H17FN2/c1-2-17-8-4-7-14(17)11-16-10-12-5-3-6-13(15)9-12/h3-9,16H,2,10-11H2,1H3
InChIKeyCVPNPQIHPRPTDE-UHFFFAOYSA-N
XLogP2.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine 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-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66443439
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
N-[[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79702420
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 79702544
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 114346652
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126966920

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine (CID 66413076) is N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine is CCn1cccc1CNCc1cccc(F)c1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is CVPNPQIHPRPTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-2-17-8-4-7-14(17)11-16-10-12-5-3-6-13(15)9-12/h3-9,16H,2,10-11H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine?
N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 232.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 66413076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).