3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine

C17H19ClFN — CID 83977027

IUPAC3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)cc(C(CN)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C17H19ClFN/c1-11-6-12(2)8-13(7-11)14(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,14H,9-10,20H2,1-2H3
InChIKeySTTNRRPMPYPRKU-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.38
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine

3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine (PubChem CID 83977027) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine
PubChem CID83977027
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)cc(C(CN)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C17H19ClFN/c1-11-6-12(2)8-13(7-11)14(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,14H,9-10,20H2,1-2H3
InChIKeySTTNRRPMPYPRKU-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
CID 82139829
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
CID 79448638
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 83976734
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 79443459

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine (CID 83977027) is 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine is Cc1cc(C)cc(C(CN)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The InChIKey is STTNRRPMPYPRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-11-6-12(2)8-13(7-11)14(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,14H,9-10,20H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).