4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine

C14H21ClFNO — CID 112652674

IUPAC4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine
SMILESCCCNC(CCc1cccc(F)c1Cl)COC
InChIInChI=1S/C14H21ClFNO/c1-3-9-17-12(10-18-2)8-7-11-5-4-6-13(16)14(11)15/h4-6,12,17H,3,7-10H2,1-2H3
InChIKeyFTGQYQORBFTRTN-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.43
Rot. Bonds8

About 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine

4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine (PubChem CID 112652674) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine
PubChem CID112652674
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine
SMILESCCCNC(CCc1cccc(F)c1Cl)COC
InChIInChI=1S/C14H21ClFNO/c1-3-9-17-12(10-18-2)8-7-11-5-4-6-13(16)14(11)15/h4-6,12,17H,3,7-10H2,1-2H3
InChIKeyFTGQYQORBFTRTN-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-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

4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-methoxy-4-(2-methyl-3-nitrophenyl)-N-propylbutan-2-amine
CID 62319650
1-(2-chloro-3-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054857
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
1-(2-chloro-3-fluorophenyl)hexan-3-ol
CID 112654007
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
1-methoxy-3-naphthalen-1-yl-N-propylpropan-2-amine
CID 55095273
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505636
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine?
The IUPAC name of 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine (CID 112652674) is 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine is CCCNC(CCc1cccc(F)c1Cl)COC.
What is the InChIKey of 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine?
The InChIKey is FTGQYQORBFTRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-3-9-17-12(10-18-2)8-7-11-5-4-6-13(16)14(11)15/h4-6,12,17H,3,7-10H2,1-2H3.
What are the key properties of 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine?
4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine has a molecular weight of 273.78 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine is sourced from PubChem (CID 112652674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).