N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline

C13H12ClN5O — CID 60780934

IUPACN-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCc2ccc(Cl)o2)cc1-n1cnnn1
InChIInChI=1S/C13H12ClN5O/c1-9-2-3-10(6-12(9)19-8-16-17-18-19)15-7-11-4-5-13(14)20-11/h2-6,8,15H,7H2,1H3
InChIKeyCHRKTOPOWLZNLT-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.83
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline

N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline (PubChem CID 60780934) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
PubChem CID60780934
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCc2ccc(Cl)o2)cc1-n1cnnn1
InChIInChI=1S/C13H12ClN5O/c1-9-2-3-10(6-12(9)19-8-16-17-18-19)15-7-11-4-5-13(14)20-11/h2-6,8,15H,7H2,1H3
InChIKeyCHRKTOPOWLZNLT-UHFFFAOYSA-N
XLogP2.83
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 62760471
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 82835839
N-[(1-ethylimidazol-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 62351165
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 115938074
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline (CID 60780934) is N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline is Cc1ccc(NCc2ccc(Cl)o2)cc1-n1cnnn1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline?
The InChIKey is CHRKTOPOWLZNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-9-2-3-10(6-12(9)19-8-16-17-18-19)15-7-11-4-5-13(14)20-11/h2-6,8,15H,7H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline?
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline has a molecular weight of 289.73 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60780934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).