(1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine

C20H25NO — CID 10732655

IUPAC(1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCCOc1cccc2c1[C@H](N[C@H](C)c1ccccc1)CC2
InChIInChI=1S/C20H25NO/c1-3-14-22-19-11-7-10-17-12-13-18(20(17)19)21-15(2)16-8-5-4-6-9-16/h4-11,15,18,21H,3,12-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyYLAJEUKMARXWCX-CRAIPNDOSA-N
MW295.43 g/mol
LogP4.81
Rot. Bonds6

About (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine

(1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 10732655) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID10732655
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCCOc1cccc2c1[C@H](N[C@H](C)c1ccccc1)CC2
InChIInChI=1S/C20H25NO/c1-3-14-22-19-11-7-10-17-12-13-18(20(17)19)21-15(2)16-8-5-4-6-9-16/h4-11,15,18,21H,3,12-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyYLAJEUKMARXWCX-CRAIPNDOSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine (CID 10732655) is (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine is CCCOc1cccc2c1[C@H](N[C@H](C)c1ccccc1)CC2.
What is the InChIKey of (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YLAJEUKMARXWCX-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-14-22-19-11-7-10-17-12-13-18(20(17)19)21-15(2)16-8-5-4-6-9-16/h4-11,15,18,21H,3,12-14H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine?
(1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-phenylethyl]-7-propoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 10732655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).