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

C12H16ClN5 — CID 44540901

IUPAC3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCN(C)CCC(c1cccc(Cl)c1)n1ncnn1
InChIInChI=1S/C12H16ClN5/c1-17(2)7-6-12(18-15-9-14-16-18)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyHHYQVAKHZDAFLC-UHFFFAOYSA-N
MW265.75 g/mol
LogP1.87
Rot. Bonds5

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

3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44540901) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44540901
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCN(C)CCC(c1cccc(Cl)c1)n1ncnn1
InChIInChI=1S/C12H16ClN5/c1-17(2)7-6-12(18-15-9-14-16-18)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyHHYQVAKHZDAFLC-UHFFFAOYSA-N
XLogP1.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine (CID 44540901) is 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine is CN(C)CCC(c1cccc(Cl)c1)n1ncnn1.
What is the InChIKey of 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is HHYQVAKHZDAFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-17(2)7-6-12(18-15-9-14-16-18)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine?
3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine has a molecular weight of 265.75 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44540901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).