1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine

C13H20ClNO2 — CID 55019323

IUPAC1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
SMILESCOCCCOC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C13H20ClNO2/c1-10(15)13(17-8-4-7-16-2)11-5-3-6-12(14)9-11/h3,5-6,9-10,13H,4,7-8,15H2,1-2H3
InChIKeyLPJPSOXSILVNTI-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.78
Rot. Bonds7

About 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine

1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine (PubChem CID 55019323) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
PubChem CID55019323
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
SMILESCOCCCOC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C13H20ClNO2/c1-10(15)13(17-8-4-7-16-2)11-5-3-6-12(14)9-11/h3,5-6,9-10,13H,4,7-8,15H2,1-2H3
InChIKeyLPJPSOXSILVNTI-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.78
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

1-(3-chlorophenyl)-1-hexoxypropan-2-amine
CID 55019805
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
CID 114208291
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018121
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine
CID 55019758
2-(3-chlorophenyl)-4-(3-methoxypropoxy)butan-1-amine
CID 103183699
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
CID 55019252

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine (CID 55019323) is 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine is COCCCOC(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine?
The InChIKey is LPJPSOXSILVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(15)13(17-8-4-7-16-2)11-5-3-6-12(14)9-11/h3,5-6,9-10,13H,4,7-8,15H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine?
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine is sourced from PubChem (CID 55019323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).