N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline

C15H17N5O — CID 63085305

IUPACN-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NC(C)Cc2ccco2)ccc1-n1cnnn1
InChIInChI=1S/C15H17N5O/c1-11-8-13(5-6-15(11)20-10-16-18-19-20)17-12(2)9-14-4-3-7-21-14/h3-8,10,12,17H,9H2,1-2H3
InChIKeyBXIOVPBLMGDTQP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.61
Rot. Bonds5

About N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline

N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline (PubChem CID 63085305) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline
PubChem CID63085305
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NC(C)Cc2ccco2)ccc1-n1cnnn1
InChIInChI=1S/C15H17N5O/c1-11-8-13(5-6-15(11)20-10-16-18-19-20)17-12(2)9-14-4-3-7-21-14/h3-8,10,12,17H,9H2,1-2H3
InChIKeyBXIOVPBLMGDTQP-UHFFFAOYSA-N
XLogP2.61
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline (CID 63085305) is N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline is Cc1cc(NC(C)Cc2ccco2)ccc1-n1cnnn1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline?
The InChIKey is BXIOVPBLMGDTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-8-13(5-6-15(11)20-10-16-18-19-20)17-12(2)9-14-4-3-7-21-14/h3-8,10,12,17H,9H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline?
N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline has a molecular weight of 283.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 63085305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).