1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol

C14H21NO2 — CID 114744719

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO2/c1-15(2)9-8-13(16)12-7-3-5-11-6-4-10-17-14(11)12/h3,5,7,13,16H,4,6,8-10H2,1-2H3
InChIKeyNPBBDUSBCNSTGU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol

1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol (PubChem CID 114744719) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
PubChem CID114744719
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO2/c1-15(2)9-8-13(16)12-7-3-5-11-6-4-10-17-14(11)12/h3,5,7,13,16H,4,6,8-10H2,1-2H3
InChIKeyNPBBDUSBCNSTGU-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol
CID 105130678
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
CID 114743263
4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
CID 114744598
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol
CID 103089875
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
CID 114744473
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
CID 114747435

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol (CID 114744719) is 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol is CN(C)CCC(O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol?
The InChIKey is NPBBDUSBCNSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)9-8-13(16)12-7-3-5-11-6-4-10-17-14(11)12/h3,5,7,13,16H,4,6,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol?
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 114744719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).