1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine

C14H21ClFNO — CID 112653738

IUPAC1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(Cc1cccc(F)c1Cl)C(C)OCC
InChIInChI=1S/C14H21ClFNO/c1-4-17-13(10(3)18-5-2)9-11-7-6-8-12(16)14(11)15/h6-8,10,13,17H,4-5,9H2,1-3H3
InChIKeyHWCVREGHQPKHEA-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.42
Rot. Bonds7

About 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine

1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine (PubChem CID 112653738) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
PubChem CID112653738
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(Cc1cccc(F)c1Cl)C(C)OCC
InChIInChI=1S/C14H21ClFNO/c1-4-17-13(10(3)18-5-2)9-11-7-6-8-12(16)14(11)15/h6-8,10,13,17H,4-5,9H2,1-3H3
InChIKeyHWCVREGHQPKHEA-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721172
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184
[1-(2,3-dichlorophenyl)-3-ethoxybutan-2-yl]hydrazine
CID 107312651
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178828
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 112653767
4-(2-chloro-3-fluorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 112655054
2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 112654146
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
3-(2,3-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 107311776
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112651923

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine (CID 112653738) is 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine is CCNC(Cc1cccc(F)c1Cl)C(C)OCC.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine?
The InChIKey is HWCVREGHQPKHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-4-17-13(10(3)18-5-2)9-11-7-6-8-12(16)14(11)15/h6-8,10,13,17H,4-5,9H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine has a molecular weight of 273.78 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-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 112653738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).