2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine

C16H26ClNO2 — CID 106457152

IUPAC2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
SMILESCCCOCCC(CNCCOC)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO2/c1-3-9-20-10-7-15(13-18-8-11-19-2)14-5-4-6-16(17)12-14/h4-6,12,15,18H,3,7-11,13H2,1-2H3
InChIKeyAOFHXHLARXGVFT-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.48
Rot. Bonds11

About 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine

2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine (PubChem CID 106457152) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
PubChem CID106457152
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
SMILESCCCOCCC(CNCCOC)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO2/c1-3-9-20-10-7-15(13-18-8-11-19-2)14-5-4-6-16(17)12-14/h4-6,12,15,18H,3,7-11,13H2,1-2H3
InChIKeyAOFHXHLARXGVFT-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.48
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

2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
CID 79442885
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457166
2-(3-chlorophenyl)-4-(3-methoxypropoxy)butan-1-amine
CID 103183699
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine (CID 106457152) is 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine is CCCOCCC(CNCCOC)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The InChIKey is AOFHXHLARXGVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-3-9-20-10-7-15(13-18-8-11-19-2)14-5-4-6-16(17)12-14/h4-6,12,15,18H,3,7-11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine is sourced from PubChem (CID 106457152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).