(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine

C18H21NO — CID 67652206

IUPAC(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@@H]1Cc2ccccc2[C@@H]1Cc1ccc(OC)cc1
InChIInChI=1S/C18H21NO/c1-19-18-12-14-5-3-4-6-16(14)17(18)11-13-7-9-15(20-2)10-8-13/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m0/s1
InChIKeyOAEUQVFGJJFROA-ZWKOTPCHSA-N
MW267.37 g/mol
LogP3.17
Rot. Bonds4

About (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine

(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 67652206) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
PubChem CID67652206
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@@H]1Cc2ccccc2[C@@H]1Cc1ccc(OC)cc1
InChIInChI=1S/C18H21NO/c1-19-18-12-14-5-3-4-6-16(14)17(18)11-13-7-9-15(20-2)10-8-13/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m0/s1
InChIKeyOAEUQVFGJJFROA-ZWKOTPCHSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine (CID 67652206) is (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine is CN[C@@H]1Cc2ccccc2[C@@H]1Cc1ccc(OC)cc1.
What is the InChIKey of (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is OAEUQVFGJJFROA-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-18-12-14-5-3-4-6-16(14)17(18)11-13-7-9-15(20-2)10-8-13/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 67652206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).