(1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine

C27H26N2O — CID 66551524

IUPAC(1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine
SMILESC[C@@H](NCC1CN(c2ccccc2)c2ccccc2O1)c1cccc2ccccc12
InChIInChI=1S/C27H26N2O/c1-20(24-15-9-11-21-10-5-6-14-25(21)24)28-18-23-19-29(22-12-3-2-4-13-22)26-16-7-8-17-27(26)30-23/h2-17,20,23,28H,18-19H2,1H3/t20-,23?/m1/s1
InChIKeyGEPYFXVBGVLPBJ-PPUHSXQSSA-N
MW394.52 g/mol
LogP6.09
Rot. Bonds5

About (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine

(1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine (PubChem CID 66551524) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine
PubChem CID66551524
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name(1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine
SMILESC[C@@H](NCC1CN(c2ccccc2)c2ccccc2O1)c1cccc2ccccc12
InChIInChI=1S/C27H26N2O/c1-20(24-15-9-11-21-10-5-6-14-25(21)24)28-18-23-19-29(22-12-3-2-4-13-22)26-16-7-8-17-27(26)30-23/h2-17,20,23,28H,18-19H2,1H3/t20-,23?/m1/s1
InChIKeyGEPYFXVBGVLPBJ-PPUHSXQSSA-N
XLogP6.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine (CID 66551524) is (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine is C[C@@H](NCC1CN(c2ccccc2)c2ccccc2O1)c1cccc2ccccc12.
What is the InChIKey of (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine?
The InChIKey is GEPYFXVBGVLPBJ-PPUHSXQSSA-N. The full InChI is InChI=1S/C27H26N2O/c1-20(24-15-9-11-21-10-5-6-14-25(21)24)28-18-23-19-29(22-12-3-2-4-13-22)26-16-7-8-17-27(26)30-23/h2-17,20,23,28H,18-19H2,1H3/t20-,23?/m1/s1.
What are the key properties of (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine?
(1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine has a molecular weight of 394.52 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-yl-N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 66551524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).