3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol

C15H15N5O — CID 43207009

IUPAC3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H15N5O/c1-11(17-13-5-3-7-15(21)9-13)12-4-2-6-14(8-12)20-10-16-18-19-20/h2-11,17,21H,1H3
InChIKeyLPRUZAVXMLOBPO-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.54
Rot. Bonds4

About 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol

3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol (PubChem CID 43207009) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol.

Molecular Properties

Compound Name3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
PubChem CID43207009
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H15N5O/c1-11(17-13-5-3-7-15(21)9-13)12-4-2-6-14(8-12)20-10-16-18-19-20/h2-11,17,21H,1H3
InChIKeyLPRUZAVXMLOBPO-UHFFFAOYSA-N
XLogP2.54
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43781131
N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43684011
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
CID 103932356
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile
CID 43823269
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
2-methylsulfanyl-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butan-1-ol
CID 103785088
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol?
The IUPAC name of 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol (CID 43207009) is 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol.
What is the SMILES notation for 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol?
The canonical SMILES for 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol is CC(Nc1cccc(O)c1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol?
The InChIKey is LPRUZAVXMLOBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11(17-13-5-3-7-15(21)9-13)12-4-2-6-14(8-12)20-10-16-18-19-20/h2-11,17,21H,1H3.
What are the key properties of 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol?
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol has a molecular weight of 281.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol is sourced from PubChem (CID 43207009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).