N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C15H19ClFN3 — CID 63974962

IUPACN-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1nccn1C
InChIInChI=1S/C15H19ClFN3/c1-3-7-18-14(15-19-8-9-20(15)2)10-11-12(16)5-4-6-13(11)17/h4-6,8-9,14,18H,3,7,10H2,1-2H3
InChIKeyANWHCNHKBWTVAS-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 63974962) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID63974962
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1nccn1C
InChIInChI=1S/C15H19ClFN3/c1-3-7-18-14(15-19-8-9-20(15)2)10-11-12(16)5-4-6-13(11)17/h4-6,8-9,14,18H,3,7,10H2,1-2H3
InChIKeyANWHCNHKBWTVAS-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

N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
N-[2-(2-chloro-6-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 63556149
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011340
N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105105691
2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975018
1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751317
N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63975598
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317545

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 63974962) is N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1c(F)cccc1Cl)c1nccn1C.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is ANWHCNHKBWTVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-3-7-18-14(15-19-8-9-20(15)2)10-11-12(16)5-4-6-13(11)17/h4-6,8-9,14,18H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(2-chloro-6-fluorophenyl)-1-(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-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63974962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).