1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine

C16H25ClFNO — CID 114857146

IUPAC1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1ccc(Cl)cc1F)NC
InChIInChI=1S/C16H25ClFNO/c1-5-16(6-2,20-7-3)15(19-4)10-12-8-9-13(17)11-14(12)18/h8-9,11,15,19H,5-7,10H2,1-4H3
InChIKeyUHHVITULBOCMPQ-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.20
Rot. Bonds8

About 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine

1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine (PubChem CID 114857146) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
PubChem CID114857146
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1ccc(Cl)cc1F)NC
InChIInChI=1S/C16H25ClFNO/c1-5-16(6-2,20-7-3)15(19-4)10-12-8-9-13(17)11-14(12)18/h8-9,11,15,19H,5-7,10H2,1-4H3
InChIKeyUHHVITULBOCMPQ-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-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-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 114857144
1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 116759886
1-(2,5-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758892
[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389
1-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829
1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
3-[3-ethoxy-3-ethyl-2-(methylamino)pentyl]pyridin-4-amine
CID 116760021
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 114860039

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine (CID 114857146) is 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine is CCOC(CC)(CC)C(Cc1ccc(Cl)cc1F)NC.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine?
The InChIKey is UHHVITULBOCMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-5-16(6-2,20-7-3)15(19-4)10-12-8-9-13(17)11-14(12)18/h8-9,11,15,19H,5-7,10H2,1-4H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine?
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine has a molecular weight of 301.83 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine is sourced from PubChem (CID 114857146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).