3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine

C11H13Cl2F2N — CID 103516664

IUPAC3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)C(F)F
InChIInChI=1S/C11H13Cl2F2N/c1-2-16-10(11(14)15)6-7-5-8(12)3-4-9(7)13/h3-5,10-11,16H,2,6H2,1H3
InChIKeyYIIXZBKUZMQLDN-UHFFFAOYSA-N
MW268.13 g/mol
LogP3.78
Rot. Bonds5

About 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine

3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine (PubChem CID 103516664) has the molecular formula C11H13Cl2F2N and a molecular weight of 268.13 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
PubChem CID103516664
Molecular FormulaC11H13Cl2F2N
Molecular Weight268.13 g/mol
Exact Mass267.04
IUPAC Name3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)C(F)F
InChIInChI=1S/C11H13Cl2F2N/c1-2-16-10(11(14)15)6-7-5-8(12)3-4-9(7)13/h3-5,10-11,16H,2,6H2,1H3
InChIKeyYIIXZBKUZMQLDN-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-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

3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103759735
3-(2,3-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 107311776
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 65316021
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311982
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine (CID 103516664) is 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine is CCNC(Cc1cc(Cl)ccc1Cl)C(F)F.
What is the InChIKey of 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The InChIKey is YIIXZBKUZMQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2N/c1-2-16-10(11(14)15)6-7-5-8(12)3-4-9(7)13/h3-5,10-11,16H,2,6H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine?
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine has a molecular weight of 268.13 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103516664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).