1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine

C12H16ClN5O — CID 103293419

IUPAC1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1Cc1c(Cl)cccc1OC
InChIInChI=1S/C12H16ClN5O/c1-8(14-2)12-15-16-17-18(12)7-9-10(13)5-4-6-11(9)19-3/h4-6,8,14H,7H2,1-3H3
InChIKeyWCZIPXLFNYQGSM-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.66
Rot. Bonds5

About 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine

1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine (PubChem CID 103293419) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
PubChem CID103293419
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1Cc1c(Cl)cccc1OC
InChIInChI=1S/C12H16ClN5O/c1-8(14-2)12-15-16-17-18(12)7-9-10(13)5-4-6-11(9)19-3/h4-6,8,14H,7H2,1-3H3
InChIKeyWCZIPXLFNYQGSM-UHFFFAOYSA-N
XLogP1.66
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 103293100
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine
CID 103085277
N-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]tetrazol-5-yl]ethanamine
CID 103115065
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085288
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
N-[1-[1-[(3-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085661
1-(2-chloro-6-methoxyphenyl)-4-methylpentan-2-amine
CID 104816512
3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
CID 84734799
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine (CID 103293419) is 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine is CNC(C)c1nnnn1Cc1c(Cl)cccc1OC.
What is the InChIKey of 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine?
The InChIKey is WCZIPXLFNYQGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-8(14-2)12-15-16-17-18(12)7-9-10(13)5-4-6-11(9)19-3/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine?
1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine has a molecular weight of 281.75 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 103293419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).