(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine

C15H25NO3 — CID 103402915

IUPAC(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCCCOCCOC
InChIInChI=1S/C15H25NO3/c1-3-14(16)13-7-4-5-8-15(13)19-10-6-9-18-12-11-17-2/h4-5,7-8,14H,3,6,9-12,16H2,1-2H3/t14-/m0/s1
InChIKeyZCYMMSYRCFQRKL-AWEZNQCLSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds10

About (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine

(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine (PubChem CID 103402915) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
PubChem CID103402915
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCCCOCCOC
InChIInChI=1S/C15H25NO3/c1-3-14(16)13-7-4-5-8-15(13)19-10-6-9-18-12-11-17-2/h4-5,7-8,14H,3,6,9-12,16H2,1-2H3/t14-/m0/s1
InChIKeyZCYMMSYRCFQRKL-AWEZNQCLSA-N
XLogP2.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
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-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methoxyphenyl)ethanamine
CID 103401868
(1S)-1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 78932925
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 61491479
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine (CID 103402915) is (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCCCOCCOC.
What is the InChIKey of (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine?
The InChIKey is ZCYMMSYRCFQRKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-14(16)13-7-4-5-8-15(13)19-10-6-9-18-12-11-17-2/h4-5,7-8,14H,3,6,9-12,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine?
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine is sourced from PubChem (CID 103402915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).