N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine

C18H21NO2 — CID 784087

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCOc1ccc(OC)c(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NO2/c1-20-17-8-9-18(21-2)15(11-17)12-19-16-7-6-13-4-3-5-14(13)10-16/h6-11,19H,3-5,12H2,1-2H3
InChIKeyHJFUOMNFUVENJI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.80
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine

N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 784087) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID784087
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCOc1ccc(OC)c(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NO2/c1-20-17-8-9-18(21-2)15(11-17)12-19-16-7-6-13-4-3-5-14(13)10-16/h6-11,19H,3-5,12H2,1-2H3
InChIKeyHJFUOMNFUVENJI-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-Dimethyl-phenyl)-(4-methoxy-benzyl)-amine
CID 775241
2-{[(2-Fluorophenyl)amino]methyl}-4-methoxyphenol
CID 4447506
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2673427
N-(1-(2,3-dimethoxyphenyl)but-3-en-1-yl)aniline
CID 2772097
N-(2-hydroxy-5-methoxybenzyl)aniline
CID 13580474
(3,5-Dimethylphenyl)(4-methoxy-2,5-dimethylbenzyl)amine
CID 743638
2,3-dihydro-1H-inden-5-yl(3,4-dimethoxybenzyl)amine
CID 784312
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-methylaniline
CID 784349
2,3-dihydro-1H-inden-5-yl(3-methoxybenzyl)amine
CID 784639
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2673471
N-[diethoxyphosphoryl-(2,5-dimethoxyphenyl)methyl]aniline
CID 2908324
6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635612

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 784087) is N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine is COc1ccc(OC)c(CNc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is HJFUOMNFUVENJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-8-9-18(21-2)15(11-17)12-19-16-7-6-13-4-3-5-14(13)10-16/h6-11,19H,3-5,12H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 283.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 784087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).