(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine

C16H27NO4 — CID 104562658

IUPAC(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOCCOCCOCCN[C@H](C)c1ccccc1OC
InChIInChI=1S/C16H27NO4/c1-14(15-6-4-5-7-16(15)19-3)17-8-9-20-12-13-21-11-10-18-2/h4-7,14,17H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyOJXPVPNPQJEPHZ-CQSZACIVSA-N
MW297.40 g/mol
LogP2.03
Rot. Bonds12

About (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine

(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 104562658) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID104562658
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOCCOCCOCCN[C@H](C)c1ccccc1OC
InChIInChI=1S/C16H27NO4/c1-14(15-6-4-5-7-16(15)19-3)17-8-9-20-12-13-21-11-10-18-2/h4-7,14,17H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyOJXPVPNPQJEPHZ-CQSZACIVSA-N
XLogP2.03
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81390396
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 132649493
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870
3,3,3-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81397407
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine (CID 104562658) is (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine is COCCOCCOCCN[C@H](C)c1ccccc1OC.
What is the InChIKey of (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is OJXPVPNPQJEPHZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27NO4/c1-14(15-6-4-5-7-16(15)19-3)17-8-9-20-12-13-21-11-10-18-2/h4-7,14,17H,8-13H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine?
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 297.40 g/mol, XLogP of 2.03, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 104562658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).