1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine

C13H15ClFN3 — CID 75483187

IUPAC1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCC(NCCn1ccnc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-10(13-11(14)3-2-4-12(13)15)17-6-8-18-7-5-16-9-18/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyMMMOPTGPPWHFAB-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine

1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine (PubChem CID 75483187) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
PubChem CID75483187
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCC(NCCn1ccnc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-10(13-11(14)3-2-4-12(13)15)17-6-8-18-7-5-16-9-18/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyMMMOPTGPPWHFAB-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 60694556
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine;dihydrochloride
CID 19429517
1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 83117213
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-imidazol-1-ylpropanamide
CID 51132550
1-(2,6-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
3-chloro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325720
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
CID 39622822
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine (CID 75483187) is 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine is CC(NCCn1ccnc1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The InChIKey is MMMOPTGPPWHFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-10(13-11(14)3-2-4-12(13)15)17-6-8-18-7-5-16-9-18/h2-5,7,9-10,17H,6,8H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine is sourced from PubChem (CID 75483187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).