3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine

C12H15F2N5 — CID 44540900

IUPAC3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCN(C)CCC(c1cc(F)ccc1F)n1ncnn1
InChIInChI=1S/C12H15F2N5/c1-18(2)6-5-12(19-16-8-15-17-19)10-7-9(13)3-4-11(10)14/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyVDPRZMLIWJHNEK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.49
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine

3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44540900) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44540900
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCN(C)CCC(c1cc(F)ccc1F)n1ncnn1
InChIInChI=1S/C12H15F2N5/c1-18(2)6-5-12(19-16-8-15-17-19)10-7-9(13)3-4-11(10)14/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyVDPRZMLIWJHNEK-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

N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 44539762
3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 44540901
3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833450
3-(3,4-dimethylphenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833634
3-(4-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833635
2-Benzyl-2H-tetrazole
CID 14782917
2-(alpha,alpha-Dimethylbenzyl)tetrazole
CID 19388301
2-[1-Fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]tetrazole
CID 20043695
2-[1,1-Bis(3,4-difluorophenyl)-1-fluoropropan-2-yl]tetrazole
CID 20043718
3-(3,4-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44539756
N-methyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine
CID 44539757
3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44539864

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine (CID 44540900) is 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine is CN(C)CCC(c1cc(F)ccc1F)n1ncnn1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is VDPRZMLIWJHNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-18(2)6-5-12(19-16-8-15-17-19)10-7-9(13)3-4-11(10)14/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine?
3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-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-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44540900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).