3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

C16H18FN5 — CID 44539660

IUPAC3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(F)c2ccccc12)n1nnc(C)n1
InChIInChI=1S/C16H18FN5/c1-11-19-21-22(20-11)16(9-10-18-2)14-7-8-15(17)13-6-4-3-5-12(13)14/h3-8,16,18H,9-10H2,1-2H3
InChIKeyPOQNCZQOOXOARX-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.47
Rot. Bonds5

About 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine (PubChem CID 44539660) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
PubChem CID44539660
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC Name3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(F)c2ccccc12)n1nnc(C)n1
InChIInChI=1S/C16H18FN5/c1-11-19-21-22(20-11)16(9-10-18-2)14-7-8-15(17)13-6-4-3-5-12(13)14/h3-8,16,18H,9-10H2,1-2H3
InChIKeyPOQNCZQOOXOARX-UHFFFAOYSA-N
XLogP2.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine (CID 44539660) is 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine is CNCCC(c1ccc(F)c2ccccc12)n1nnc(C)n1.
What is the InChIKey of 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The InChIKey is POQNCZQOOXOARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5/c1-11-19-21-22(20-11)16(9-10-18-2)14-7-8-15(17)13-6-4-3-5-12(13)14/h3-8,16,18H,9-10H2,1-2H3.
What are the key properties of 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine has a molecular weight of 299.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoronaphthalen-1-yl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44539660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).