1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

C19H23NO — CID 115826448

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H23NO/c1-13-6-9-19(21-2)17(10-13)12-18(20)16-8-7-14-4-3-5-15(14)11-16/h6-11,18H,3-5,12,20H2,1-2H3
InChIKeyMWOJGTYXWWWXSZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 115826448) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID115826448
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H23NO/c1-13-6-9-19(21-2)17(10-13)12-18(20)16-8-7-14-4-3-5-15(14)11-16/h6-11,18H,3-5,12,20H2,1-2H3
InChIKeyMWOJGTYXWWWXSZ-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864890
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115864950
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylphenyl)ethanamine
CID 43115557
1-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107503260
2-(2-methoxy-5-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755036
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 115826448) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CC(N)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is MWOJGTYXWWWXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-6-9-19(21-2)17(10-13)12-18(20)16-8-7-14-4-3-5-15(14)11-16/h6-11,18H,3-5,12,20H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 115826448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).