6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C19H23NO — CID 81363584

IUPAC6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N[C@@H](C)c1ccccc1C)CC2
InChIInChI=1S/C19H23NO/c1-13-6-4-5-7-17(13)14(2)20-19-11-9-15-8-10-16(21-3)12-18(15)19/h4-8,10,12,14,19-20H,9,11H2,1-3H3/t14-,19?/m0/s1
InChIKeySMGRRVLOHIAWLK-KTQQKIMGSA-N
MW281.40 g/mol
LogP4.34
Rot. Bonds4

About 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81363584) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81363584
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N[C@@H](C)c1ccccc1C)CC2
InChIInChI=1S/C19H23NO/c1-13-6-4-5-7-17(13)14(2)20-19-11-9-15-8-10-16(21-3)12-18(15)19/h4-8,10,12,14,19-20H,9,11H2,1-3H3/t14-,19?/m0/s1
InChIKeySMGRRVLOHIAWLK-KTQQKIMGSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956089
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81363584) is 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N[C@@H](C)c1ccccc1C)CC2.
What is the InChIKey of 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SMGRRVLOHIAWLK-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-6-4-5-7-17(13)14(2)20-19-11-9-15-8-10-16(21-3)12-18(15)19/h4-8,10,12,14,19-20H,9,11H2,1-3H3/t14-,19?/m0/s1.
What are the key properties of 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81363584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).