(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine

C15H25NO2 — CID 103179242

IUPAC(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCOCCCOCCN[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2/c1-13-5-7-15(8-6-13)14(2)16-9-12-18-11-4-10-17-3/h5-8,14,16H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyBPXXLBPFELTMCJ-AWEZNQCLSA-N
MW251.37 g/mol
LogP2.70
Rot. Bonds9

About (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 103179242) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID103179242
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCOCCCOCCN[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2/c1-13-5-7-15(8-6-13)14(2)16-9-12-18-11-4-10-17-3/h5-8,14,16H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyBPXXLBPFELTMCJ-AWEZNQCLSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.70
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-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 113355515
1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 103178569

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine (CID 103179242) is (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine is COCCCOCCN[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is BPXXLBPFELTMCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-5-7-15(8-6-13)14(2)16-9-12-18-11-4-10-17-3/h5-8,14,16H,4,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 103179242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).