1-phenyl-3,4-dihydroisochromen-1-amine

C15H15NO — CID 140995633

IUPAC1-phenyl-3,4-dihydroisochromen-1-amine
SMILESNC1(c2ccccc2)OCCc2ccccc21
InChIInChI=1S/C15H15NO/c16-15(13-7-2-1-3-8-13)14-9-5-4-6-12(14)10-11-17-15/h1-9H,10-11,16H2
InChIKeyHZZHQUCQOHPIPI-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.42
Rot. Bonds1

About 1-phenyl-3,4-dihydroisochromen-1-amine

1-phenyl-3,4-dihydroisochromen-1-amine (PubChem CID 140995633) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-phenyl-3,4-dihydroisochromen-1-amine.

Molecular Properties

Compound Name1-phenyl-3,4-dihydroisochromen-1-amine
PubChem CID140995633
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-phenyl-3,4-dihydroisochromen-1-amine
SMILESNC1(c2ccccc2)OCCc2ccccc21
InChIInChI=1S/C15H15NO/c16-15(13-7-2-1-3-8-13)14-9-5-4-6-12(14)10-11-17-15/h1-9H,10-11,16H2
InChIKeyHZZHQUCQOHPIPI-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-1H-2-benzopyran-1-yl)aniline
CID 12943544
1-(3,4-dihydro-1H-2-benzopyran-7-yl)methanamine
CID 82596474
(3,4-dihydro-1H-2-benzopyran-5-yl)methanamine
CID 82596472
1-phenyl-3H-2-benzofuran-1-amine
CID 14064960
2,2,2-Trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine
CID 58611161
6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine
CID 175133586
1,3-Dimethyl-7-(trifluoromethyl)-3,4-dihydroisochromen-1-amine
CID 175597995
16-Oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-ylhydrazine
CID 134854461
Hydroxyamino isochroman
CID 135563814
1-(3,4-difluorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 64240105
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluorophenyl)propan-2-amine
CID 64240682
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3-fluorophenyl)propan-2-amine
CID 64240684

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4-dihydroisochromen-1-amine?
The IUPAC name of 1-phenyl-3,4-dihydroisochromen-1-amine (CID 140995633) is 1-phenyl-3,4-dihydroisochromen-1-amine.
What is the SMILES notation for 1-phenyl-3,4-dihydroisochromen-1-amine?
The canonical SMILES for 1-phenyl-3,4-dihydroisochromen-1-amine is NC1(c2ccccc2)OCCc2ccccc21.
What is the InChIKey of 1-phenyl-3,4-dihydroisochromen-1-amine?
The InChIKey is HZZHQUCQOHPIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c16-15(13-7-2-1-3-8-13)14-9-5-4-6-12(14)10-11-17-15/h1-9H,10-11,16H2.
What are the key properties of 1-phenyl-3,4-dihydroisochromen-1-amine?
1-phenyl-3,4-dihydroisochromen-1-amine has a molecular weight of 225.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,4-dihydroisochromen-1-amine is sourced from PubChem (CID 140995633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).