3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol

C19H23NO3 — CID 123956343

IUPAC3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol
SMILESNCCC(O)c1cccc(OCC2COc3ccccc3C2)c1
InChIInChI=1S/C19H23NO3/c20-9-8-18(21)15-5-3-6-17(11-15)22-12-14-10-16-4-1-2-7-19(16)23-13-14/h1-7,11,14,18,21H,8-10,12-13,20H2
InChIKeyKSKDXNAAIUILIZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds6

About 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol

3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol (PubChem CID 123956343) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol
PubChem CID123956343
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol
SMILESNCCC(O)c1cccc(OCC2COc3ccccc3C2)c1
InChIInChI=1S/C19H23NO3/c20-9-8-18(21)15-5-3-6-17(11-15)22-12-14-10-16-4-1-2-7-19(16)23-13-14/h1-7,11,14,18,21H,8-10,12-13,20H2
InChIKeyKSKDXNAAIUILIZ-UHFFFAOYSA-N
XLogP2.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143785909
3-amino-1-[3-[(1-oxothian-4-yl)methoxy]phenyl]propan-1-ol
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CID 79135598
1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
CID 130373177
3,4-dihydro-2H-chromen-3-ylmethyl hydrogen sulfite
CID 91592911
(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine
CID 66348382
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
CID 172583865
CID 172583865
2-[3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]-N-methylethanamine
CID 97139052
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
CID 97125876

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol (CID 123956343) is 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol is NCCC(O)c1cccc(OCC2COc3ccccc3C2)c1.
What is the InChIKey of 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol?
The InChIKey is KSKDXNAAIUILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c20-9-8-18(21)15-5-3-6-17(11-15)22-12-14-10-16-4-1-2-7-19(16)23-13-14/h1-7,11,14,18,21H,8-10,12-13,20H2.
What are the key properties of 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol?
3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(3,4-dihydro-2H-chromen-3-ylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 123956343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).