2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol

C12H17NO2 — CID 107148964

IUPAC2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol
SMILESCC(CO)NC1COCc2ccccc21
InChIInChI=1S/C12H17NO2/c1-9(6-14)13-12-8-15-7-10-4-2-3-5-11(10)12/h2-5,9,12-14H,6-8H2,1H3
InChIKeyFBTKUUCBABVUIA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.23
Rot. Bonds3

About 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol

2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol (PubChem CID 107148964) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol
PubChem CID107148964
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol
SMILESCC(CO)NC1COCc2ccccc21
InChIInChI=1S/C12H17NO2/c1-9(6-14)13-12-8-15-7-10-4-2-3-5-11(10)12/h2-5,9,12-14H,6-8H2,1H3
InChIKeyFBTKUUCBABVUIA-UHFFFAOYSA-N
XLogP1.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149018
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149523
N-[(1S)-1-(3-methylphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149520
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148988
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149518
2-(3,4-dihydro-1H-isochromen-4-ylamino)-2-methylpropane-1,3-diol
CID 107149576
N-(1-phenylbutyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149078
(2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol
CID 11043746
5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol
CID 106144670
1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
CID 106284691
N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149306

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol (CID 107148964) is 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol is CC(CO)NC1COCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol?
The InChIKey is FBTKUUCBABVUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(6-14)13-12-8-15-7-10-4-2-3-5-11(10)12/h2-5,9,12-14H,6-8H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol?
2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol is sourced from PubChem (CID 107148964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).