[1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine

C18H21N — CID 65409246

IUPAC[1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
SMILESCc1ccccc1CC1(CN)CCc2ccccc21
InChIInChI=1S/C18H21N/c1-14-6-2-3-8-16(14)12-18(13-19)11-10-15-7-4-5-9-17(15)18/h2-9H,10-13,19H2,1H3
InChIKeyRWDOMLMGPSUUOV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.38
Rot. Bonds3

About [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine

[1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine (PubChem CID 65409246) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
PubChem CID65409246
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name[1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
SMILESCc1ccccc1CC1(CN)CCc2ccccc21
InChIInChI=1S/C18H21N/c1-14-6-2-3-8-16(14)12-18(13-19)11-10-15-7-4-5-9-17(15)18/h2-9H,10-13,19H2,1H3
InChIKeyRWDOMLMGPSUUOV-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058133
[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 112645153
[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 65318575
[1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65408670
[1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 104632338
[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65407326
[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390377
[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine
CID 106734067
[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 65409445
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
CID 79137764
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 63521983
2-[(2-methylphenyl)methyl]-1,3-dihydroinden-2-ol
CID 60797949

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The IUPAC name of [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine (CID 65409246) is [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine.
What is the SMILES notation for [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The canonical SMILES for [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine is Cc1ccccc1CC1(CN)CCc2ccccc21.
What is the InChIKey of [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
The InChIKey is RWDOMLMGPSUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-6-2-3-8-16(14)12-18(13-19)11-10-15-7-4-5-9-17(15)18/h2-9H,10-13,19H2,1H3.
What are the key properties of [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine?
[1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylphenyl)methyl]-2,3-dihydroinden-1-yl]methanamine is sourced from PubChem (CID 65409246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).