1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine

C20H25NO — CID 14141284

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine
SMILESCC(CC1OCCc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H25NO/c1-16(21-13-11-17-7-3-2-4-8-17)15-20-19-10-6-5-9-18(19)12-14-22-20/h2-10,16,20-21H,11-15H2,1H3
InChIKeyNNABDNGZAVOLGF-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.91
Rot. Bonds6

About 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine

1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine (PubChem CID 14141284) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine
PubChem CID14141284
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine
SMILESCC(CC1OCCc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H25NO/c1-16(21-13-11-17-7-3-2-4-8-17)15-20-19-10-6-5-9-18(19)12-14-22-20/h2-10,16,20-21H,11-15H2,1H3
InChIKeyNNABDNGZAVOLGF-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine (CID 14141284) is 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine is CC(CC1OCCc2ccccc21)NCCc1ccccc1.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine?
The InChIKey is NNABDNGZAVOLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16(21-13-11-17-7-3-2-4-8-17)15-20-19-10-6-5-9-18(19)12-14-22-20/h2-10,16,20-21H,11-15H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine?
1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-phenylethyl)propan-2-amine is sourced from PubChem (CID 14141284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).