1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine

C17H22N2O2 — CID 63362626

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCOc1ccc(Cn2ccc3c2CCCC3N)c(OC)c1
InChIInChI=1S/C17H22N2O2/c1-20-13-7-6-12(17(10-13)21-2)11-19-9-8-14-15(18)4-3-5-16(14)19/h6-10,15H,3-5,11,18H2,1-2H3
InChIKeyOAEBVXKFXZSZOT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.89
Rot. Bonds4

About 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine

1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63362626) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63362626
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCOc1ccc(Cn2ccc3c2CCCC3N)c(OC)c1
InChIInChI=1S/C17H22N2O2/c1-20-13-7-6-12(17(10-13)21-2)11-19-9-8-14-15(18)4-3-5-16(14)19/h6-10,15H,3-5,11,18H2,1-2H3
InChIKeyOAEBVXKFXZSZOT-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
CID 66241809
1-[(2-methyl-3-nitrophenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 103113413
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 79237972
1-(2-cyclopentyloxyethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63826901
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
(1S,2R,4S,5R)-4-[4-[(2,4-dimethoxyphenyl)methyl]-1,2,4-triazol-3-yl]bicyclo[3.1.0]hexan-2-amine
CID 130336942
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
4-(4-amino-4,5,6,7-tetrahydroindol-1-yl)-3-methoxybenzonitrile
CID 104850009
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63712868

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine (CID 63362626) is 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine is COc1ccc(Cn2ccc3c2CCCC3N)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is OAEBVXKFXZSZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-20-13-7-6-12(17(10-13)21-2)11-19-9-8-14-15(18)4-3-5-16(14)19/h6-10,15H,3-5,11,18H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63362626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).