1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine

C15H17NO2 — CID 63022983

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
SMILESc1coc(CNCc2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C15H17NO2/c1-3-13-9-12(5-6-15(13)18-8-1)10-16-11-14-4-2-7-17-14/h2,4-7,9,16H,1,3,8,10-11H2
InChIKeyBXKCZRSVASCACA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.89
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine

1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 63022983) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
PubChem CID63022983
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
SMILESc1coc(CNCc2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C15H17NO2/c1-3-13-9-12(5-6-15(13)18-8-1)10-16-11-14-4-2-7-17-14/h2,4-7,9,16H,1,3,8,10-11H2
InChIKeyBXKCZRSVASCACA-UHFFFAOYSA-N
XLogP2.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705597
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(furan-2-yl)butan-2-amine
CID 43804177
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
CID 115258559
N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(furan-2-yl)methanamine
CID 43326806
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43395343
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 115245808
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide
CID 8500172
1-(3,4-dihydro-2H-chromen-6-yl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244745
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
methyl 3-(3,4-dihydro-2H-chromen-6-ylmethylamino)propanoate
CID 115232397

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine (CID 63022983) is 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine is c1coc(CNCc2ccc3c(c2)CCCO3)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is BXKCZRSVASCACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-13-9-12(5-6-15(13)18-8-1)10-16-11-14-4-2-7-17-14/h2,4-7,9,16H,1,3,8,10-11H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.89, 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-6-yl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 63022983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).