N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine

C21H21NO — CID 44587467

IUPACN-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESCNC[C@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc12
InChIInChI=1S/C21H21NO/c1-22-14-17-13-16-8-3-5-11-19(16)21(17)23-20-12-6-9-15-7-2-4-10-18(15)20/h2-12,17,21-22H,13-14H2,1H3/t17-,21-/m1/s1
InChIKeyVPTOWUWJWIVXIJ-DYESRHJHSA-N
MW303.41 g/mol
LogP4.35
Rot. Bonds4

About N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine

N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine (PubChem CID 44587467) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine
PubChem CID44587467
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC NameN-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine
SMILESCNC[C@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc12
InChIInChI=1S/C21H21NO/c1-22-14-17-13-16-8-3-5-11-19(16)21(17)23-20-12-6-9-15-7-2-4-10-18(15)20/h2-12,17,21-22H,13-14H2,1H3/t17-,21-/m1/s1
InChIKeyVPTOWUWJWIVXIJ-DYESRHJHSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine (CID 44587467) is N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine is CNC[C@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc12.
What is the InChIKey of N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine?
The InChIKey is VPTOWUWJWIVXIJ-DYESRHJHSA-N. The full InChI is InChI=1S/C21H21NO/c1-22-14-17-13-16-8-3-5-11-19(16)21(17)23-20-12-6-9-15-7-2-4-10-18(15)20/h2-12,17,21-22H,13-14H2,1H3/t17-,21-/m1/s1.
What are the key properties of N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine?
N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine has a molecular weight of 303.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R,2R)-1-naphthalen-1-yloxy-2,3-dihydro-1H-inden-2-yl]methanamine is sourced from PubChem (CID 44587467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).