1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride

C15H16ClNO — CID 153409594

IUPAC1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
SMILESCl.NC1COC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H15NO.ClH/c16-14-10-17-15(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14;/h1-9,14-15H,10,16H2;1H
InChIKeyTYKMOGPNJPAZCN-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.23
Rot. Bonds1

About 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride

1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride (PubChem CID 153409594) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
PubChem CID153409594
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
SMILESCl.NC1COC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H15NO.ClH/c16-14-10-17-15(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14;/h1-9,14-15H,10,16H2;1H
InChIKeyTYKMOGPNJPAZCN-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 153409603
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
(4R,5R)-4-phenyl-1,3-dioxan-5-amine
CID 11116629
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
2-phenyloxirane
CID 7276
4-methyl-3-methylidene-2-phenyloxolane
CID 102507227
4-(1,3-dihydro-2-benzofuran-1-yl)aniline
CID 70600489
ethane;2-phenyloxirane
CID 54171856
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
7-phenyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511966
(1S,3R)-1-tert-butyl-3-phenyl-1,3-dihydro-2-benzofuran
CID 13213881
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The IUPAC name of 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride (CID 153409594) is 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The canonical SMILES for 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride is Cl.NC1COC(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The InChIKey is TYKMOGPNJPAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.ClH/c16-14-10-17-15(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14;/h1-9,14-15H,10,16H2;1H.
What are the key properties of 1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 3.23, 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-dihydro-1H-isochromen-4-amine;hydrochloride is sourced from PubChem (CID 153409594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).