2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine

C17H19ClFNO — CID 107130479

IUPAC2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine
SMILESCNC(c1ccc(C)c(F)c1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-11-7-8-13(9-16(11)19)17(20-3)12(2)21-15-6-4-5-14(18)10-15/h4-10,12,17,20H,1-3H3
InChIKeyVIPAYGQZPABESI-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.52
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine

2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine (PubChem CID 107130479) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine
PubChem CID107130479
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine
SMILESCNC(c1ccc(C)c(F)c1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-11-7-8-13(9-16(11)19)17(20-3)12(2)21-15-6-4-5-14(18)10-15/h4-10,12,17,20H,1-3H3
InChIKeyVIPAYGQZPABESI-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-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-(3-chloro-4-methylphenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 107562651
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105397219
2-(3-chlorophenoxy)-1-(2-chlorophenyl)-N-methylpropan-1-amine
CID 105099609
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 105093982
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 79446498
[2-(3-chlorophenoxy)-1-(2,3-difluorophenyl)propyl]hydrazine
CID 105309301
[2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)propyl]hydrazine
CID 105303167
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine
CID 79617287
1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285582
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine (CID 107130479) is 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine is CNC(c1ccc(C)c(F)c1)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is VIPAYGQZPABESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11-7-8-13(9-16(11)19)17(20-3)12(2)21-15-6-4-5-14(18)10-15/h4-10,12,17,20H,1-3H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine?
2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 107130479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).