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

C18H21NO2 — CID 43181895

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc(CNC2CCc3ccccc32)c1OC
InChIInChI=1S/C18H21NO2/c1-20-17-9-5-7-14(18(17)21-2)12-19-16-11-10-13-6-3-4-8-15(13)16/h3-9,16,19H,10-12H2,1-2H3
InChIKeyWTPVJLGEQCGANQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.48
Rot. Bonds5

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

N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43181895) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43181895
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc(CNC2CCc3ccccc32)c1OC
InChIInChI=1S/C18H21NO2/c1-20-17-9-5-7-14(18(17)21-2)12-19-16-11-10-13-6-3-4-8-15(13)16/h3-9,16,19H,10-12H2,1-2H3
InChIKeyWTPVJLGEQCGANQ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid
CID 163327820
N-[(2,3,4-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3126346
(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 95588885
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 60857681
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43612746
4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531349
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol
CID 103948018

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 43181895) is N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1cccc(CNC2CCc3ccccc32)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WTPVJLGEQCGANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-9-5-7-14(18(17)21-2)12-19-16-11-10-13-6-3-4-8-15(13)16/h3-9,16,19H,10-12H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43181895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).