1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine

C16H16ClN5 — CID 56689996

IUPAC1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)C(c1ccccc1)c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN5/c1-21(2)15(12-6-4-3-5-7-12)16-18-19-20-22(16)14-10-8-13(17)9-11-14/h3-11,15H,1-2H3
InChIKeyKKEPOECKBYDCET-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.97
Rot. Bonds4

About 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine

1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine (PubChem CID 56689996) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine
PubChem CID56689996
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)C(c1ccccc1)c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN5/c1-21(2)15(12-6-4-3-5-7-12)16-18-19-20-22(16)14-10-8-13(17)9-11-14/h3-11,15H,1-2H3
InChIKeyKKEPOECKBYDCET-UHFFFAOYSA-N
XLogP2.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine (CID 56689996) is 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine is CN(C)C(c1ccccc1)c1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is KKEPOECKBYDCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-21(2)15(12-6-4-3-5-7-12)16-18-19-20-22(16)14-10-8-13(17)9-11-14/h3-11,15H,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine?
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 313.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 56689996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).