1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine

C11H13ClFN5 — CID 107049056

IUPAC1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H13ClFN5/c1-18-16-11(15-17-18)6-7(14)5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6,14H2,1H3
InChIKeyFXAJIICNXPFAED-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.12
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107049056) has the molecular formula C11H13ClFN5 and a molecular weight of 269.71 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107049056
Molecular FormulaC11H13ClFN5
Molecular Weight269.71 g/mol
Exact Mass269.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H13ClFN5/c1-18-16-11(15-17-18)6-7(14)5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6,14H2,1H3
InChIKeyFXAJIICNXPFAED-UHFFFAOYSA-N
XLogP1.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107049056) is 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine is Cn1nnc(CC(N)Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is FXAJIICNXPFAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN5/c1-18-16-11(15-17-18)6-7(14)5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 269.71 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107049056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).