1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C12H15ClFN5 — CID 107050770

IUPAC1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFN5/c1-15-9(7-11-16-18-19(2)17-11)6-8-4-3-5-10(13)12(8)14/h3-5,9,15H,6-7H2,1-2H3
InChIKeyLGKBDHBFDFDXNE-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.38
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107050770) has the molecular formula C12H15ClFN5 and a molecular weight of 283.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107050770
Molecular FormulaC12H15ClFN5
Molecular Weight283.74 g/mol
Exact Mass283.10
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFN5/c1-15-9(7-11-16-18-19(2)17-11)6-8-4-3-5-10(13)12(8)14/h3-5,9,15H,6-7H2,1-2H3
InChIKeyLGKBDHBFDFDXNE-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-chloro-2-fluorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-2-amine
CID 82787681
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049322
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
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1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 82806378
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
CID 82805465
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107050770) is 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CNC(Cc1nnn(C)n1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is LGKBDHBFDFDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN5/c1-15-9(7-11-16-18-19(2)17-11)6-8-4-3-5-10(13)12(8)14/h3-5,9,15H,6-7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 283.74 g/mol, XLogP of 1.38, 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-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107050770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).