2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine

C19H23NO — CID 106892811

IUPAC2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)C2Cc3ccccc3C2)cc1C
InChIInChI=1S/C19H23NO/c1-12-8-16(9-13(2)19(12)21-3)18(20)17-10-14-6-4-5-7-15(14)11-17/h4-9,17-18H,10-11,20H2,1-3H3
InChIKeyCSFNJHOORXYVNO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.73
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine

2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine (PubChem CID 106892811) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
PubChem CID106892811
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)C2Cc3ccccc3C2)cc1C
InChIInChI=1S/C19H23NO/c1-12-8-16(9-13(2)19(12)21-3)18(20)17-10-14-6-4-5-7-15(14)11-17/h4-9,17-18H,10-11,20H2,1-3H3
InChIKeyCSFNJHOORXYVNO-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
2,3-dihydro-1H-inden-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433624
3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116937420
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 79699671
6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83057726
2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83044772
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892723
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893808
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 83154112
(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
CID 83045638

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine (CID 106892811) is 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine is COc1c(C)cc(C(N)C2Cc3ccccc3C2)cc1C.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The InChIKey is CSFNJHOORXYVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12-8-16(9-13(2)19(12)21-3)18(20)17-10-14-6-4-5-7-15(14)11-17/h4-9,17-18H,10-11,20H2,1-3H3.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine?
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 106892811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).