3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine

C16H25NO2 — CID 104768841

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCC1CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-16(17,4-2)12-18-11-13-9-10-19-15-8-6-5-7-14(13)15/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeyULAADDVOGSNPNG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds6

About 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine

3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine (PubChem CID 104768841) 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-ylmethoxymethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine
PubChem CID104768841
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCC1CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-16(17,4-2)12-18-11-13-9-10-19-15-8-6-5-7-14(13)15/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeyULAADDVOGSNPNG-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclobutan-1-amine
CID 104768849
1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine
CID 104769663
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine
CID 104768023
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
CID 116747190
3-(aminomethyl)-1-(3,4-dihydro-2H-chromen-4-yl)-3-ethylpentan-2-one
CID 116603807
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine
CID 104768026
1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
CID 104770299
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine (CID 104768841) is 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine is CCC(N)(CC)COCC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine?
The InChIKey is ULAADDVOGSNPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-16(17,4-2)12-18-11-13-9-10-19-15-8-6-5-7-14(13)15/h5-8,13H,3-4,9-12,17H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine?
3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine is sourced from PubChem (CID 104768841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).