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

C16H26ClNO2 — CID 106457186

IUPAC2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
SMILESCCCOCCC(CNCCOC)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2/c1-3-10-20-11-8-14(13-18-9-12-19-2)15-6-4-5-7-16(15)17/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeySPIOTSCSIIREHI-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.48
Rot. Bonds11

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

2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine (PubChem CID 106457186) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
PubChem CID106457186
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
SMILESCCCOCCC(CNCCOC)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2/c1-3-10-20-11-8-14(13-18-9-12-19-2)15-6-4-5-7-16(15)17/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeySPIOTSCSIIREHI-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-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 79449341
2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 103036937
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
2-(2-fluorophenyl)-4-(2-methoxyethoxy)-N-(2-methoxyethyl)butan-1-amine
CID 79436793
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine (CID 106457186) is 2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine is CCCOCCC(CNCCOC)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
The InChIKey is SPIOTSCSIIREHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-3-10-20-11-8-14(13-18-9-12-19-2)15-6-4-5-7-16(15)17/h4-7,14,18H,3,8-13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine?
2-(2-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-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine is sourced from PubChem (CID 106457186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).