1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine

C20H25N — CID 65406106

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)C1CCc2ccccc21
InChIInChI=1S/C20H25N/c1-14-8-9-15(2)17(12-14)13-20(21-3)19-11-10-16-6-4-5-7-18(16)19/h4-9,12,19-21H,10-11,13H2,1-3H3
InChIKeyNYECJYADPDQMSL-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.16
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine

1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine (PubChem CID 65406106) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine
PubChem CID65406106
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)C1CCc2ccccc21
InChIInChI=1S/C20H25N/c1-14-8-9-15(2)17(12-14)13-20(21-3)19-11-10-16-6-4-5-7-18(16)19/h4-9,12,19-21H,10-11,13H2,1-3H3
InChIKeyNYECJYADPDQMSL-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105234418
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404945
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404361
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
1-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79575248
[2-(2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105218856
[1-(2,3-dihydro-1H-inden-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105234410
1-chloro-2-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459508
[1-(2,3-dihydro-1H-inden-2-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105234118
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
[2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234339
1-(2,6-difluoro-3-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 82802818

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine (CID 65406106) is 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is NYECJYADPDQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14-8-9-15(2)17(12-14)13-20(21-3)19-11-10-16-6-4-5-7-18(16)19/h4-9,12,19-21H,10-11,13H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 279.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 65406106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).