[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine

C16H23NO3 — CID 104768026

IUPAC[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine
SMILESNCC1(OCC2CCOc3ccccc32)CCOCC1
InChIInChI=1S/C16H23NO3/c17-12-16(6-9-18-10-7-16)20-11-13-5-8-19-15-4-2-1-3-14(13)15/h1-4,13H,5-12,17H2
InChIKeyIYHLNSIFJKAQLB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.08
Rot. Bonds4

About [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine

[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine (PubChem CID 104768026) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine
PubChem CID104768026
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine
SMILESNCC1(OCC2CCOc3ccccc32)CCOCC1
InChIInChI=1S/C16H23NO3/c17-12-16(6-9-18-10-7-16)20-11-13-5-8-19-15-4-2-1-3-14(13)15/h1-4,13H,5-12,17H2
InChIKeyIYHLNSIFJKAQLB-UHFFFAOYSA-N
XLogP2.08
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine
CID 104768023
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
CID 79229754
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclobutan-1-amine
CID 104768849
3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine
CID 104768841
[4-(cyclopropylmethoxy)oxan-4-yl]methanamine
CID 65051703
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559790
N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 106297206

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine?
The IUPAC name of [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine (CID 104768026) is [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine?
The canonical SMILES for [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine is NCC1(OCC2CCOc3ccccc32)CCOCC1.
What is the InChIKey of [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine?
The InChIKey is IYHLNSIFJKAQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c17-12-16(6-9-18-10-7-16)20-11-13-5-8-19-15-4-2-1-3-14(13)15/h1-4,13H,5-12,17H2.
What are the key properties of [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine?
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine has a molecular weight of 277.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)oxan-4-yl]methanamine is sourced from PubChem (CID 104768026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).