[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol

C18H21NO2 — CID 107230849

IUPAC[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNCC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H21NO2/c20-13-15-7-5-14(6-8-15)11-19-12-16-9-10-21-18-4-2-1-3-17(16)18/h1-8,16,19-20H,9-13H2
InChIKeyYVHWHIDSDNMZGC-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.83
Rot. Bonds5

About [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol

[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol (PubChem CID 107230849) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
PubChem CID107230849
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNCC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H21NO2/c20-13-15-7-5-14(6-8-15)11-19-12-16-9-10-21-18-4-2-1-3-17(16)18/h1-8,16,19-20H,9-13H2
InChIKeyYVHWHIDSDNMZGC-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 115618954
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833897
3-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]pentan-1-ol
CID 115757110
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
N-[2-(3,4-dihydro-2H-chromen-4-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115756467

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol (CID 107230849) is [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol is OCc1ccc(CNCC2CCOc3ccccc32)cc1.
What is the InChIKey of [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol?
The InChIKey is YVHWHIDSDNMZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-13-15-7-5-14(6-8-15)11-19-12-16-9-10-21-18-4-2-1-3-17(16)18/h1-8,16,19-20H,9-13H2.
What are the key properties of [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol?
[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol has a molecular weight of 283.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107230849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).