N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine

C17H25NO2 — CID 107136471

IUPACN-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCOC1)C1COc2ccccc2C1
InChIInChI=1S/C17H25NO2/c1-2-18-17(14-7-5-9-19-11-14)15-10-13-6-3-4-8-16(13)20-12-15/h3-4,6,8,14-15,17-18H,2,5,7,9-12H2,1H3
InChIKeyLBUSMMIHFONDCD-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.64
Rot. Bonds4

About N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine

N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine (PubChem CID 107136471) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
PubChem CID107136471
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCOC1)C1COc2ccccc2C1
InChIInChI=1S/C17H25NO2/c1-2-18-17(14-7-5-9-19-11-14)15-10-13-6-3-4-8-16(13)20-12-15/h3-4,6,8,14-15,17-18H,2,5,7,9-12H2,1H3
InChIKeyLBUSMMIHFONDCD-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 107136482
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136795
[cyclohexyl(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233964
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
CID 65410110
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 106653327
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
CID 83161048
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136441
N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136469
[2-cyclobutyl-1-(3,4-dihydro-2H-chromen-3-yl)ethyl]hydrazine
CID 105234000

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine (CID 107136471) is N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine is CCNC(C1CCCOC1)C1COc2ccccc2C1.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine?
The InChIKey is LBUSMMIHFONDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-18-17(14-7-5-9-19-11-14)15-10-13-6-3-4-8-16(13)20-12-15/h3-4,6,8,14-15,17-18H,2,5,7,9-12H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107136471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).