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

C13H20ClNO — CID 43200651

IUPAC1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCCCC(NCCOC)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-3-4-13(15-9-10-16-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyJUMYHXFRFAFGJD-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.42
Rot. Bonds7

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

1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 43200651) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID43200651
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCCCC(NCCOC)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-3-4-13(15-9-10-16-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyJUMYHXFRFAFGJD-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 104629221
1-(3-chloro-4-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 115608743
2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
CID 103901960
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine (CID 43200651) is 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine is CCCC(NCCOC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is JUMYHXFRFAFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-4-13(15-9-10-16-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine?
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 43200651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).