(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine

C15H25NO3 — CID 103177829

IUPAC(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCCOCCCOC)cc1
InChIInChI=1S/C15H25NO3/c1-3-15(16)13-5-7-14(8-6-13)19-12-11-18-10-4-9-17-2/h5-8,15H,3-4,9-12,16H2,1-2H3/t15-/m0/s1
InChIKeyRKFPFGDLLBHSHW-HNNXBMFYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds10

About (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine

(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine (PubChem CID 103177829) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
PubChem CID103177829
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCCOCCCOC)cc1
InChIInChI=1S/C15H25NO3/c1-3-15(16)13-5-7-14(8-6-13)19-12-11-18-10-4-9-17-2/h5-8,15H,3-4,9-12,16H2,1-2H3/t15-/m0/s1
InChIKeyRKFPFGDLLBHSHW-HNNXBMFYSA-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

1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine (CID 103177829) is (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccc(OCCOCCCOC)cc1.
What is the InChIKey of (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine?
The InChIKey is RKFPFGDLLBHSHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-15(16)13-5-7-14(8-6-13)19-12-11-18-10-4-9-17-2/h5-8,15H,3-4,9-12,16H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine?
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]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-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine is sourced from PubChem (CID 103177829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).