2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine

C13H20ClNO — CID 79442885

IUPAC2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
SMILESCCOCCC(CNC)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-3-16-8-7-12(10-15-2)11-5-4-6-13(14)9-11/h4-6,9,12,15H,3,7-8,10H2,1-2H3
InChIKeyGZIDCNLUHSSJPD-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.07
Rot. Bonds7

About 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine

2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine (PubChem CID 79442885) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
PubChem CID79442885
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
SMILESCCOCCC(CNC)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-3-16-8-7-12(10-15-2)11-5-4-6-13(14)9-11/h4-6,9,12,15H,3,7-8,10H2,1-2H3
InChIKeyGZIDCNLUHSSJPD-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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

2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79443619
N-tert-butyl-2-(3-chlorophenyl)-5-ethoxypentan-1-amine
CID 79442507
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
1-(1-bromo-5-ethoxypentan-2-yl)-3-chlorobenzene
CID 79430327
N-methyl-4-(3-methylbutoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416931
2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79443182
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine (CID 79442885) is 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine is CCOCCC(CNC)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine?
The InChIKey is GZIDCNLUHSSJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-16-8-7-12(10-15-2)11-5-4-6-13(14)9-11/h4-6,9,12,15H,3,7-8,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine?
2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine is sourced from PubChem (CID 79442885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).