(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine

C14H23NO3 — CID 103402999

IUPAC(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
SMILESCOCCOCCCOc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H23NO3/c1-12(15)13-4-6-14(7-5-13)18-9-3-8-17-11-10-16-2/h4-7,12H,3,8-11,15H2,1-2H3/t12-/m1/s1
InChIKeyFKZRSFMHYIEESE-GFCCVEGCSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds9

About (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine

(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine (PubChem CID 103402999) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
PubChem CID103402999
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
SMILESCOCCOCCCOc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H23NO3/c1-12(15)13-4-6-14(7-5-13)18-9-3-8-17-11-10-16-2/h4-7,12H,3,8-11,15H2,1-2H3/t12-/m1/s1
InChIKeyFKZRSFMHYIEESE-GFCCVEGCSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
methyl 2-[3-[5-[4-[(1S)-1-aminoethyl]phenoxy]pentoxy]propoxy]acetate
CID 164592816
3-[2-[2-[6-[4-[(1R)-1-aminoethyl]phenoxy]hexoxy]ethoxy]ethoxy]propanoic acid
CID 164592799
3-[2-[2-[6-[4-(1-aminoethyl)phenoxy]hexoxy]ethoxy]ethoxy]propanoic acid
CID 164592967
methyl 2-[3-[5-[4-[(1S)-1-aminoethyl]phenoxy]pentoxy]propoxy]acetate;hydrochloride
CID 164592815
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103408958
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine (CID 103402999) is (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine is COCCOCCCOc1ccc([C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
The InChIKey is FKZRSFMHYIEESE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12(15)13-4-6-14(7-5-13)18-9-3-8-17-11-10-16-2/h4-7,12H,3,8-11,15H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine?
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine is sourced from PubChem (CID 103402999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).