(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine

C15H23NO2 — CID 81376149

IUPAC(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCOc1cccc([C@H](C)NCC2CCOCC2)c1
InChIInChI=1S/C15H23NO2/c1-12(14-4-3-5-15(10-14)17-2)16-11-13-6-8-18-9-7-13/h3-5,10,12-13,16H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyBOMCKQYJKXCPJK-LBPRGKRZSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds5

About (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine

(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 81376149) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID81376149
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCOc1cccc([C@H](C)NCC2CCOCC2)c1
InChIInChI=1S/C15H23NO2/c1-12(14-4-3-5-15(10-14)17-2)16-11-13-6-8-18-9-7-13/h3-5,10,12-13,16H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyBOMCKQYJKXCPJK-LBPRGKRZSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694691
N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826
5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol
CID 63727270
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81376644
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine (CID 81376149) is (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine is COc1cccc([C@H](C)NCC2CCOCC2)c1.
What is the InChIKey of (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is BOMCKQYJKXCPJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(14-4-3-5-15(10-14)17-2)16-11-13-6-8-18-9-7-13/h3-5,10,12-13,16H,6-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine?
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 81376149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).