2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine

C16H22FN3 — CID 114531376

IUPAC2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
SMILESCNCC(CCc1nccn1C)Cc1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-18-12-14(6-7-16-19-8-9-20(16)2)10-13-4-3-5-15(17)11-13/h3-5,8-9,11,14,18H,6-7,10,12H2,1-2H3
InChIKeyOLNYXDAFFYFTTL-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.57
Rot. Bonds7

About 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine

2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine (PubChem CID 114531376) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
PubChem CID114531376
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
SMILESCNCC(CCc1nccn1C)Cc1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-18-12-14(6-7-16-19-8-9-20(16)2)10-13-4-3-5-15(17)11-13/h3-5,8-9,11,14,18H,6-7,10,12H2,1-2H3
InChIKeyOLNYXDAFFYFTTL-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-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

2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372
1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751415
1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 115634136
4-(1-methylimidazol-2-yl)-2-[(3-methylphenyl)methyl]butan-1-ol
CID 114532669
N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529913
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 65097069
4-tert-butylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 106729730
3-[(3-fluorophenyl)methyl]-4-(methylamino)butanoic acid
CID 155217766

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine (CID 114531376) is 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine is CNCC(CCc1nccn1C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine?
The InChIKey is OLNYXDAFFYFTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-18-12-14(6-7-16-19-8-9-20(16)2)10-13-4-3-5-15(17)11-13/h3-5,8-9,11,14,18H,6-7,10,12H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine?
2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 114531376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).