4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol

C17H25NO2 — CID 104769267

IUPAC4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(CC2CCOc3ccccc32)CC1
InChIInChI=1S/C17H25NO2/c1-18-10-4-8-17(19,9-11-18)13-14-7-12-20-16-6-3-2-5-15(14)16/h2-3,5-6,14,19H,4,7-13H2,1H3
InChIKeyADMFQHWWZDMSGB-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.79
Rot. Bonds2

About 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol

4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol (PubChem CID 104769267) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol
PubChem CID104769267
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(CC2CCOc3ccccc32)CC1
InChIInChI=1S/C17H25NO2/c1-18-10-4-8-17(19,9-11-18)13-14-7-12-20-16-6-3-2-5-15(14)16/h2-3,5-6,14,19H,4,7-13H2,1H3
InChIKeyADMFQHWWZDMSGB-UHFFFAOYSA-N
XLogP2.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 104769272
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol
CID 104769260
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol
CID 104772399
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol
CID 104769259
(1,4-dimethylpiperidin-4-yl)methyl (4R)-3,4-dihydro-2H-chromene-4-carboxylate
CID 97347777
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol
CID 115924343
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 104769683
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol (CID 104769267) is 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol is CN1CCCC(O)(CC2CCOc3ccccc32)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol?
The InChIKey is ADMFQHWWZDMSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-10-4-8-17(19,9-11-18)13-14-7-12-20-16-6-3-2-5-15(14)16/h2-3,5-6,14,19H,4,7-13H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol?
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol has a molecular weight of 275.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol is sourced from PubChem (CID 104769267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).