(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine

C14H21NO2 — CID 81376792

IUPAC(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCC2CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-11(15-9-12-6-7-17-10-12)13-4-3-5-14(8-13)16-2/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyKYRJQFHYMYFZEN-JHJMLUEUSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds5

About (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine

(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 81376792) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID81376792
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCC2CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-11(15-9-12-6-7-17-10-12)13-4-3-5-14(8-13)16-2/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyKYRJQFHYMYFZEN-JHJMLUEUSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694691
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 81376792) is (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine is COc1cccc([C@@H](C)NCC2CCOC2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is KYRJQFHYMYFZEN-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-9-12-6-7-17-10-12)13-4-3-5-14(8-13)16-2/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 81376792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).