N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline

C17H20N2O2 — CID 80650262

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
SMILESCOc1ccc(NCc2cccc3c2NCC3)cc1OC
InChIInChI=1S/C17H20N2O2/c1-20-15-7-6-14(10-16(15)21-2)19-11-13-5-3-4-12-8-9-18-17(12)13/h3-7,10,18-19H,8-9,11H2,1-2H3
InChIKeySCZWMKXUVNYLIR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.28
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline (PubChem CID 80650262) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
PubChem CID80650262
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
SMILESCOc1ccc(NCc2cccc3c2NCC3)cc1OC
InChIInChI=1S/C17H20N2O2/c1-20-15-7-6-14(10-16(15)21-2)19-11-13-5-3-4-12-8-9-18-17(12)13/h3-7,10,18-19H,8-9,11H2,1-2H3
InChIKeySCZWMKXUVNYLIR-UHFFFAOYSA-N
XLogP3.28
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905
2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol
CID 80649181
4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 114837968
4-bromo-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 82860022
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 23769843
2-chloro-4-(2,3-dihydro-1H-indol-7-ylmethylamino)benzamide
CID 80650015
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1H-indazol-5-amine
CID 80648541
5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 80648539
2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
CID 80650196

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline (CID 80650262) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline is COc1ccc(NCc2cccc3c2NCC3)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline?
The InChIKey is SCZWMKXUVNYLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-15-7-6-14(10-16(15)21-2)19-11-13-5-3-4-12-8-9-18-17(12)13/h3-7,10,18-19H,8-9,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline has a molecular weight of 284.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline is sourced from PubChem (CID 80650262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).