2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol

C17H18N2O — CID 107236019

IUPAC2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
SMILESCc1cc(NCc2cn(C)c3ccccc23)ccc1O
InChIInChI=1S/C17H18N2O/c1-12-9-14(7-8-17(12)20)18-10-13-11-19(2)16-6-4-3-5-15(13)16/h3-9,11,18,20H,10H2,1-2H3
InChIKeyRSSIYFXKOCEOPE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.80
Rot. Bonds3

About 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol

2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol (PubChem CID 107236019) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol.

Molecular Properties

Compound Name2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
PubChem CID107236019
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
SMILESCc1cc(NCc2cn(C)c3ccccc23)ccc1O
InChIInChI=1S/C17H18N2O/c1-12-9-14(7-8-17(12)20)18-10-13-11-19(2)16-6-4-3-5-15(13)16/h3-9,11,18,20H,10H2,1-2H3
InChIKeyRSSIYFXKOCEOPE-UHFFFAOYSA-N
XLogP3.80
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107571918
3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107235875
4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
CID 107236329
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
CID 107235018
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
3-chloro-5-fluoro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107363989
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
4-methyl-1-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115125054
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol?
The IUPAC name of 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol (CID 107236019) is 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol.
What is the SMILES notation for 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol?
The canonical SMILES for 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol is Cc1cc(NCc2cn(C)c3ccccc23)ccc1O.
What is the InChIKey of 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol?
The InChIKey is RSSIYFXKOCEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-9-14(7-8-17(12)20)18-10-13-11-19(2)16-6-4-3-5-15(13)16/h3-9,11,18,20H,10H2,1-2H3.
What are the key properties of 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol?
2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol has a molecular weight of 266.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol is sourced from PubChem (CID 107236019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).