(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine

C15H21NO2 — CID 81376644

IUPAC(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCC2CCC=CO2)c1
InChIInChI=1S/C15H21NO2/c1-12(13-6-5-8-14(10-13)17-2)16-11-15-7-3-4-9-18-15/h4-6,8-10,12,15-16H,3,7,11H2,1-2H3/t12-,15?/m1/s1
InChIKeyBFKCMJIFLYIXLN-KEKZHRQWSA-N
MW247.34 g/mol
LogP3.04
Rot. Bonds5

About (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine

(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 81376644) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID81376644
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCC2CCC=CO2)c1
InChIInChI=1S/C15H21NO2/c1-12(13-6-5-8-14(10-13)17-2)16-11-15-7-3-4-9-18-15/h4-6,8-10,12,15-16H,3,7,11H2,1-2H3/t12-,15?/m1/s1
InChIKeyBFKCMJIFLYIXLN-KEKZHRQWSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 62065619
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 62064923
N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate
CID 55036207
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
4-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]benzonitrile
CID 55030449
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine (CID 81376644) is (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NCC2CCC=CO2)c1.
What is the InChIKey of (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is BFKCMJIFLYIXLN-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(13-6-5-8-14(10-13)17-2)16-11-15-7-3-4-9-18-15/h4-6,8-10,12,15-16H,3,7,11H2,1-2H3/t12-,15?/m1/s1.
What are the key properties of (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81376644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).