1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine

C14H15N5O2 — CID 4713632

IUPAC1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine
SMILESCOc1ccccc1-n1nnnc1CNCc1ccco1
InChIInChI=1S/C14H15N5O2/c1-20-13-7-3-2-6-12(13)19-14(16-17-18-19)10-15-9-11-5-4-8-21-11/h2-8,15H,9-10H2,1H3
InChIKeyYDIGUDOKIFMIDD-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.55
Rot. Bonds6

About 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine

1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine (PubChem CID 4713632) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine
PubChem CID4713632
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine
SMILESCOc1ccccc1-n1nnnc1CNCc1ccco1
InChIInChI=1S/C14H15N5O2/c1-20-13-7-3-2-6-12(13)19-14(16-17-18-19)10-15-9-11-5-4-8-21-11/h2-8,15H,9-10H2,1H3
InChIKeyYDIGUDOKIFMIDD-UHFFFAOYSA-N
XLogP1.55
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737927
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1175435
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737942
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126456916
(2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine
CID 94086636
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763334

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine (CID 4713632) is 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine is COc1ccccc1-n1nnnc1CNCc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine?
The InChIKey is YDIGUDOKIFMIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-20-13-7-3-2-6-12(13)19-14(16-17-18-19)10-15-9-11-5-4-8-21-11/h2-8,15H,9-10H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine?
1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine has a molecular weight of 285.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]methanamine is sourced from PubChem (CID 4713632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).