N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C15H19ClFN3 — CID 105011340

IUPACN-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)c1cccc(F)c1Cl
InChIInChI=1S/C15H19ClFN3/c1-3-7-18-13(10-14-19-8-9-20(14)2)11-5-4-6-12(17)15(11)16/h4-6,8-9,13,18H,3,7,10H2,1-2H3
InChIKeyCNCRLSVBJWNLCD-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.50
Rot. Bonds6

About N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 105011340) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID105011340
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC NameN-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)c1cccc(F)c1Cl
InChIInChI=1S/C15H19ClFN3/c1-3-7-18-13(10-14-19-8-9-20(14)2)11-5-4-6-12(17)15(11)16/h4-6,8-9,13,18H,3,7,10H2,1-2H3
InChIKeyCNCRLSVBJWNLCD-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322944
1-(2,3-dichlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011522
N-[1-(4-bromo-2-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011211
N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 105011526
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962
N-[1-(3-iodophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011328
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[1-(2-chloro-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822317
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105167116
1-(2-chloro-3-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849855

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 105011340) is N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1C)c1cccc(F)c1Cl.
What is the InChIKey of N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is CNCRLSVBJWNLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-3-7-18-13(10-14-19-8-9-20(14)2)11-5-4-6-12(17)15(11)16/h4-6,8-9,13,18H,3,7,10H2,1-2H3.
What are the key properties of N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 295.79 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105011340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).