N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine

C16H19ClFN3 — CID 91833064

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine
SMILESCCN(Cc1c(F)cccc1Cl)Cc1nccn1C1CC1
InChIInChI=1S/C16H19ClFN3/c1-2-20(10-13-14(17)4-3-5-15(13)18)11-16-19-8-9-21(16)12-6-7-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyXYANEDGUVKHHNL-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.03
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine (PubChem CID 91833064) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine
PubChem CID91833064
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine
SMILESCCN(Cc1c(F)cccc1Cl)Cc1nccn1C1CC1
InChIInChI=1S/C16H19ClFN3/c1-2-20(10-13-14(17)4-3-5-15(13)18)11-16-19-8-9-21(16)12-6-7-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyXYANEDGUVKHHNL-UHFFFAOYSA-N
XLogP4.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
CID 63387036
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 77095534
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 77097645
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[4-[[4-(3-propan-2-yl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methyl]ethanamine
CID 90121977
1-[[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346161
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine
CID 42695024
2-ethyl-1-(4-methylcyclohexyl)imidazole
CID 64776318
N-(2-chloro-6-fluorophenyl)-1-cyclopentylimidazol-2-amine
CID 106582343
2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione
CID 9243957
3-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54979600
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine (CID 91833064) is N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine is CCN(Cc1c(F)cccc1Cl)Cc1nccn1C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine?
The InChIKey is XYANEDGUVKHHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-2-20(10-13-14(17)4-3-5-15(13)18)11-16-19-8-9-21(16)12-6-7-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 91833064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).