2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol

C15H12F2N2O — CID 79886052

IUPAC2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
SMILESOc1c(F)cc(CNc2ccc3[nH]ccc3c2)cc1F
InChIInChI=1S/C15H12F2N2O/c16-12-5-9(6-13(17)15(12)20)8-19-11-1-2-14-10(7-11)3-4-18-14/h1-7,18-20H,8H2
InChIKeyUOWOSRFRODMNOR-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.76
Rot. Bonds3

About 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol

2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol (PubChem CID 79886052) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
PubChem CID79886052
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
SMILESOc1c(F)cc(CNc2ccc3[nH]ccc3c2)cc1F
InChIInChI=1S/C15H12F2N2O/c16-12-5-9(6-13(17)15(12)20)8-19-11-1-2-14-10(7-11)3-4-18-14/h1-7,18-20H,8H2
InChIKeyUOWOSRFRODMNOR-UHFFFAOYSA-N
XLogP3.76
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
CID 62758577
N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine
CID 114841443
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568
2,6-difluoro-4-[(4-fluoro-3-nitroanilino)methyl]phenol
CID 79882745
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol (CID 79886052) is 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol is Oc1c(F)cc(CNc2ccc3[nH]ccc3c2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol?
The InChIKey is UOWOSRFRODMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-12-5-9(6-13(17)15(12)20)8-19-11-1-2-14-10(7-11)3-4-18-14/h1-7,18-20H,8H2.
What are the key properties of 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol?
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol has a molecular weight of 274.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol is sourced from PubChem (CID 79886052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).