1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

C16H20F2N2 — CID 66400310

IUPAC1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H20F2N2/c1-3-7-20-8-6-13(11-20)10-19-12(2)14-4-5-15(17)16(18)9-14/h4-6,8-9,11-12,19H,3,7,10H2,1-2H3
InChIKeyBOMKPLYZPRMPBR-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.03
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66400310) has the molecular formula C16H20F2N2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
PubChem CID66400310
Molecular FormulaC16H20F2N2
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H20F2N2/c1-3-7-20-8-6-13(11-20)10-19-12(2)14-4-5-15(17)16(18)9-14/h4-6,8-9,11-12,19H,3,7,10H2,1-2H3
InChIKeyBOMKPLYZPRMPBR-UHFFFAOYSA-N
XLogP4.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine 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

(1S)-1-(4-fluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 81348106
1-(1,3-benzodioxol-5-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66413949
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351026
(1S)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365165
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
1-(5-fluoro-2-methoxyphenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66415533
1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66415731
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66414353
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 93291145
1-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399983
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119
2,6-dibromo-4-[[1-(3,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602829

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (CID 66400310) is 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is CCCn1ccc(CNC(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is BOMKPLYZPRMPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2/c1-3-7-20-8-6-13(11-20)10-19-12(2)14-4-5-15(17)16(18)9-14/h4-6,8-9,11-12,19H,3,7,10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 278.35 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66400310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).