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

C14H21NO2 — CID 113451391

IUPAC2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CC1CCOc2ccccc21
InChIInChI=1S/C14H21NO2/c1-11(10-16)15(2)9-12-7-8-17-14-6-4-3-5-13(12)14/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyYJSMSCLQCPXXCF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds4

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

2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol (PubChem CID 113451391) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol
PubChem CID113451391
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CC1CCOc2ccccc21
InChIInChI=1S/C14H21NO2/c1-11(10-16)15(2)9-12-7-8-17-14-6-4-3-5-13(12)14/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyYJSMSCLQCPXXCF-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104768583
2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
CID 115880053
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine
CID 104771323
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184
5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
CID 104771921
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol (CID 113451391) is 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol is CC(CO)N(C)CC1CCOc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol?
The InChIKey is YJSMSCLQCPXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(10-16)15(2)9-12-7-8-17-14-6-4-3-5-13(12)14/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol?
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 113451391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).