N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine

C12H16ClN5O2 — CID 62736289

IUPACN-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C12H16ClN5O2/c1-4-14-7-12-15-16-17-18(12)9-5-8(13)10(19-2)6-11(9)20-3/h5-6,14H,4,7H2,1-3H3
InChIKeyUMTCVGOQCKBNLG-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.44
Rot. Bonds6

About N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62736289) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62736289
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC NameN-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C12H16ClN5O2/c1-4-14-7-12-15-16-17-18(12)9-5-8(13)10(19-2)6-11(9)20-3/h5-6,14H,4,7H2,1-3H3
InChIKeyUMTCVGOQCKBNLG-UHFFFAOYSA-N
XLogP1.44
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine (CID 62736289) is N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1cc(Cl)c(OC)cc1OC.
What is the InChIKey of N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is UMTCVGOQCKBNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-4-14-7-12-15-16-17-18(12)9-5-8(13)10(19-2)6-11(9)20-3/h5-6,14H,4,7H2,1-3H3.
What are the key properties of N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 297.75 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62736289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).