N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline

C17H18N2O — CID 62332420

IUPACN-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O/c1-20-12-13-6-2-4-8-16(13)18-10-14-11-19-17-9-5-3-7-15(14)17/h2-9,11,18-19H,10,12H2,1H3
InChIKeyZPMVBANQQOGBRR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.93
Rot. Bonds5

About N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline

N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline (PubChem CID 62332420) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline
PubChem CID62332420
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O/c1-20-12-13-6-2-4-8-16(13)18-10-14-11-19-17-9-5-3-7-15(14)17/h2-9,11,18-19H,10,12H2,1H3
InChIKeyZPMVBANQQOGBRR-UHFFFAOYSA-N
XLogP3.93
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one
CID 137470450
N-(1H-indol-3-ylmethyl)-1H-indazol-4-amine
CID 62325226
N-(1H-indol-3-ylmethyl)quinolin-5-amine
CID 60680044
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
CID 62332433
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60681484
4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
CID 114838759

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline (CID 62332420) is N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline is COCc1ccccc1NCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline?
The InChIKey is ZPMVBANQQOGBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-12-13-6-2-4-8-16(13)18-10-14-11-19-17-9-5-3-7-15(14)17/h2-9,11,18-19H,10,12H2,1H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline?
N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline has a molecular weight of 266.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 62332420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).