3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol

C16H25NO2 — CID 115757110

IUPAC3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNCC1CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-2-13(7-9-18)11-17-12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,13-14,17-18H,2,7-12H2,1H3
InChIKeyQTGPPYDBQXVWTC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.55
Rot. Bonds7

About 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol

3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol (PubChem CID 115757110) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol
PubChem CID115757110
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNCC1CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-2-13(7-9-18)11-17-12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,13-14,17-18H,2,7-12H2,1H3
InChIKeyQTGPPYDBQXVWTC-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]acetamide
CID 111662437
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
CID 107230849
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol (CID 115757110) is 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol is CCC(CCO)CNCC1CCOc2ccccc21.
What is the InChIKey of 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol?
The InChIKey is QTGPPYDBQXVWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-13(7-9-18)11-17-12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,13-14,17-18H,2,7-12H2,1H3.
What are the key properties of 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol?
3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol is sourced from PubChem (CID 115757110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).