4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline

C16H14F2N2O — CID 102909269

IUPAC4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
SMILESFC(F)Oc1ccc(NCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C16H14F2N2O/c17-16(18)21-14-5-3-13(4-6-14)20-10-11-1-2-12-7-8-19-15(12)9-11/h1-9,16,19-20H,10H2
InChIKeyVZWHLRIVEGTOLI-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.38
Rot. Bonds5

About 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline

4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline (PubChem CID 102909269) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
PubChem CID102909269
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
SMILESFC(F)Oc1ccc(NCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C16H14F2N2O/c17-16(18)21-14-5-3-13(4-6-14)20-10-11-1-2-12-7-8-19-15(12)9-11/h1-9,16,19-20H,10H2
InChIKeyVZWHLRIVEGTOLI-UHFFFAOYSA-N
XLogP4.38
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-6-ylmethyl)aniline
CID 29012556
N-[(3-bromo-4-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 83235363
3-[[4-(difluoromethoxy)anilino]methyl]phenol
CID 28623903
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
CID 102909680
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
3-chloro-4-ethoxy-N-(1H-indol-6-ylmethyl)aniline
CID 102910079
1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 102911672
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline?
The IUPAC name of 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline (CID 102909269) is 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline.
What is the SMILES notation for 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline?
The canonical SMILES for 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline is FC(F)Oc1ccc(NCc2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline?
The InChIKey is VZWHLRIVEGTOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-16(18)21-14-5-3-13(4-6-14)20-10-11-1-2-12-7-8-19-15(12)9-11/h1-9,16,19-20H,10H2.
What are the key properties of 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline?
4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline has a molecular weight of 288.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline is sourced from PubChem (CID 102909269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).