2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine

C18H21NO2 — CID 43115585

IUPAC2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NO2/c1-20-16-9-15(10-17(11-16)21-2)18(19)14-7-6-12-4-3-5-13(12)8-14/h6-11,18H,3-5,19H2,1-2H3
InChIKeyVHOLYIPOPVCAHL-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.24
Rot. Bonds4

About 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine

2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine (PubChem CID 43115585) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
PubChem CID43115585
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NO2/c1-20-16-9-15(10-17(11-16)21-2)18(19)14-7-6-12-4-3-5-13(12)8-14/h6-11,18H,3-5,19H2,1-2H3
InChIKeyVHOLYIPOPVCAHL-UHFFFAOYSA-N
XLogP3.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115368857
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 104851102
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
CID 105018656

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine (CID 43115585) is 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine is COc1cc(OC)cc(C(N)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine?
The InChIKey is VHOLYIPOPVCAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-9-15(10-17(11-16)21-2)18(19)14-7-6-12-4-3-5-13(12)8-14/h6-11,18H,3-5,19H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine?
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine has a molecular weight of 283.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 43115585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).