(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine

C14H23NO2 — CID 106452312

IUPAC(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
SMILESCCCOCCN[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H23NO2/c1-4-10-17-11-9-15-12(2)13-7-5-6-8-14(13)16-3/h5-8,12,15H,4,9-11H2,1-3H3/t12-/m1/s1
InChIKeyJUZMVGSUYHHLBQ-GFCCVEGCSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds8

About (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine

(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine (PubChem CID 106452312) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
PubChem CID106452312
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
SMILESCCCOCCN[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H23NO2/c1-4-10-17-11-9-15-12(2)13-7-5-6-8-14(13)16-3/h5-8,12,15H,4,9-11H2,1-3H3/t12-/m1/s1
InChIKeyJUZMVGSUYHHLBQ-GFCCVEGCSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 43194008
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81390396
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
3,3,3-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81397407

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine (CID 106452312) is (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine is CCCOCCN[C@H](C)c1ccccc1OC.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine?
The InChIKey is JUZMVGSUYHHLBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-10-17-11-9-15-12(2)13-7-5-6-8-14(13)16-3/h5-8,12,15H,4,9-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine?
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine is sourced from PubChem (CID 106452312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).