3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine

C12H15F2N5 — CID 44540611

IUPAC3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine
SMILESCN(C)CCC(c1ccc(F)c(F)c1)n1cnnn1
InChIInChI=1S/C12H15F2N5/c1-18(2)6-5-12(19-8-15-16-17-19)9-3-4-10(13)11(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyJWLITXQWEVNQHO-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.49
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine

3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine (PubChem CID 44540611) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine
PubChem CID44540611
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine
SMILESCN(C)CCC(c1ccc(F)c(F)c1)n1cnnn1
InChIInChI=1S/C12H15F2N5/c1-18(2)6-5-12(19-8-15-16-17-19)9-3-4-10(13)11(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyJWLITXQWEVNQHO-UHFFFAOYSA-N
XLogP1.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Phenylmethyl)-1H-1,2,4-triazole
CID 22458
1-benzyl-1H-1,2,3,4-tetrazol-5-amine
CID 563074
1-benzyl-1H-1,2,3,4-tetrazole
CID 3822426
N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725597
N-(2-fluorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725628
1-Benzhydryl-1,2,4-triazole
CID 3361302
4-Benzyl-4h-1,2,4-triazole
CID 2322494
1-benzyl-N,N-dimethyltetrazol-5-amine
CID 333972
1-[(1-Benzylaziridin-2-yl)methyl]-1,2,4-triazole
CID 53322257
1-[(2,4-Difluorophenyl)methyl]-1,2,4-triazole
CID 44206889
3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833450
1-(4-Fluorobenzyl)-1H-1,2,4-triazole
CID 23273675

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine (CID 44540611) is 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine is CN(C)CCC(c1ccc(F)c(F)c1)n1cnnn1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine?
The InChIKey is JWLITXQWEVNQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-18(2)6-5-12(19-8-15-16-17-19)9-3-4-10(13)11(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine?
3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine has a molecular weight of 267.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine is sourced from PubChem (CID 44540611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).