N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine

C17H18N2O2 — CID 28662205

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
SMILESCOc1ccc(CNc2ccc3[nH]ccc3c2)c(OC)c1
InChIInChI=1S/C17H18N2O2/c1-20-15-5-3-13(17(10-15)21-2)11-19-14-4-6-16-12(9-14)7-8-18-16/h3-10,18-19H,11H2,1-2H3
InChIKeySSTKOEGEYHAHDP-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.80
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine (PubChem CID 28662205) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
PubChem CID28662205
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
SMILESCOc1ccc(CNc2ccc3[nH]ccc3c2)c(OC)c1
InChIInChI=1S/C17H18N2O2/c1-20-15-5-3-13(17(10-15)21-2)11-19-14-4-6-16-12(9-14)7-8-18-16/h3-10,18-19H,11H2,1-2H3
InChIKeySSTKOEGEYHAHDP-UHFFFAOYSA-N
XLogP3.80
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 110730767
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165
3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
CID 63363029
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine
CID 114841443
1-N-[(2,4-dimethoxyphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 39456816
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine (CID 28662205) is N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine is COc1ccc(CNc2ccc3[nH]ccc3c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine?
The InChIKey is SSTKOEGEYHAHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-20-15-5-3-13(17(10-15)21-2)11-19-14-4-6-16-12(9-14)7-8-18-16/h3-10,18-19H,11H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine has a molecular weight of 282.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine is sourced from PubChem (CID 28662205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).