2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine

C19H23NO — CID 115864950

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc3c(c2)CCC3)ccc1C
InChIInChI=1S/C19H23NO/c1-13-6-8-17(12-19(13)21-2)18(20)11-14-7-9-15-4-3-5-16(15)10-14/h6-10,12,18H,3-5,11,20H2,1-2H3
InChIKeyGDIMEFUGNVBFIS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.73
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine

2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 115864950) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID115864950
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc3c(c2)CCC3)ccc1C
InChIInChI=1S/C19H23NO/c1-13-6-8-17(12-19(13)21-2)18(20)11-14-7-9-15-4-3-5-16(15)10-14/h6-10,12,18H,3-5,11,20H2,1-2H3
InChIKeyGDIMEFUGNVBFIS-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-(3,4-dimethylphenyl)ethanamine
CID 115864878
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864890
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826448
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503122
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43109357
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 115864870

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 115864950) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine is COc1cc(C(N)Cc2ccc3c(c2)CCC3)ccc1C.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is GDIMEFUGNVBFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-6-8-17(12-19(13)21-2)18(20)11-14-7-9-15-4-3-5-16(15)10-14/h6-10,12,18H,3-5,11,20H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-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 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 115864950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).