1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

C16H16FN5 — CID 18088026

IUPAC1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCN(Cc1cccc(F)c1)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C16H16FN5/c1-21(11-13-6-5-7-14(17)10-13)12-16-18-19-20-22(16)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3
InChIKeyHEWAODVETBGHKE-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.43
Rot. Bonds5

About 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (PubChem CID 18088026) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
PubChem CID18088026
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCN(Cc1cccc(F)c1)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C16H16FN5/c1-21(11-13-6-5-7-14(17)10-13)12-16-18-19-20-22(16)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3
InChIKeyHEWAODVETBGHKE-UHFFFAOYSA-N
XLogP2.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088323
N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 26625051
3-[[methyl-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]amino]methyl]benzonitrile
CID 87021498
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
1-[3-(difluoromethoxy)phenyl]-N-methyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 47551325
N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857210
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 86988801
1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one
CID 17482252
2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol
CID 111121816
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (CID 18088026) is 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is CN(Cc1cccc(F)c1)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The InChIKey is HEWAODVETBGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-21(11-13-6-5-7-14(17)10-13)12-16-18-19-20-22(16)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine has a molecular weight of 297.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 18088026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).