1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

C12H15ClFN5 — CID 107049322

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFN5/c1-3-15-10(7-11-16-18-19(2)17-11)8-5-4-6-9(13)12(8)14/h4-6,10,15H,3,7H2,1-2H3
InChIKeyORKUTJVUWLBMLL-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.90
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107049322) has the molecular formula C12H15ClFN5 and a molecular weight of 283.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107049322
Molecular FormulaC12H15ClFN5
Molecular Weight283.74 g/mol
Exact Mass283.10
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFN5/c1-3-15-10(7-11-16-18-19(2)17-11)8-5-4-6-9(13)12(8)14/h4-6,10,15H,3,7H2,1-2H3
InChIKeyORKUTJVUWLBMLL-UHFFFAOYSA-N
XLogP1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996069
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050491
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996077
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050770
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107049322) is 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is ORKUTJVUWLBMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN5/c1-3-15-10(7-11-16-18-19(2)17-11)8-5-4-6-9(13)12(8)14/h4-6,10,15H,3,7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 283.74 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107049322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).