2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine

C12H17N5O — CID 112518555

IUPAC2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
SMILESCNCCc1nnnn1Cc1ccc(OC)cc1
InChIInChI=1S/C12H17N5O/c1-13-8-7-12-14-15-16-17(12)9-10-3-5-11(18-2)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyFZSMRRKBXLDWQK-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.49
Rot. Bonds6

About 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine

2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine (PubChem CID 112518555) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
PubChem CID112518555
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
SMILESCNCCc1nnnn1Cc1ccc(OC)cc1
InChIInChI=1S/C12H17N5O/c1-13-8-7-12-14-15-16-17(12)9-10-3-5-11(18-2)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyFZSMRRKBXLDWQK-UHFFFAOYSA-N
XLogP0.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propanoate
CID 69189007
1-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfanylmethyl]tetrazole
CID 42691330
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
4-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butanoylamino]piperidine-1-carboxylic acid
CID 141407264
N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085288
N-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylethyl]methanesulfonamide
CID 56803433
5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23019982
5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23020046
3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanenitrile
CID 24522665
5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 154721135
3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
CID 82228424
1-[(4-methoxyphenyl)methyl]-5-(3-phenylpropylsulfonyl)tetrazole
CID 176890412

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine (CID 112518555) is 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine is CNCCc1nnnn1Cc1ccc(OC)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine?
The InChIKey is FZSMRRKBXLDWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-13-8-7-12-14-15-16-17(12)9-10-3-5-11(18-2)6-4-10/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine?
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine has a molecular weight of 247.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 112518555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).