N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine

C18H30FN — CID 105051215

IUPACN-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1ccc(F)cc1C)NCC
InChIInChI=1S/C18H30FN/c1-5-8-15(9-6-2)18(20-7-3)13-16-10-11-17(19)12-14(16)4/h10-12,15,18,20H,5-9,13H2,1-4H3
InChIKeyHKWGSRKMUJVOPB-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.87
Rot. Bonds9

About N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine

N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine (PubChem CID 105051215) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
PubChem CID105051215
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC NameN-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1ccc(F)cc1C)NCC
InChIInChI=1S/C18H30FN/c1-5-8-15(9-6-2)18(20-7-3)13-16-10-11-17(19)12-14(16)4/h10-12,15,18,20H,5-9,13H2,1-4H3
InChIKeyHKWGSRKMUJVOPB-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-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-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051216
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987222
N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
CID 82987589
1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine
CID 105050915
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
CID 115843078
1-(4-fluoro-2-methylphenyl)-3-methylhexan-2-amine
CID 105051076
1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82986935
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 102867344
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 102622959
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine (CID 105051215) is N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine is CCCC(CCC)C(Cc1ccc(F)cc1C)NCC.
What is the InChIKey of N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine?
The InChIKey is HKWGSRKMUJVOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-5-8-15(9-6-2)18(20-7-3)13-16-10-11-17(19)12-14(16)4/h10-12,15,18,20H,5-9,13H2,1-4H3.
What are the key properties of N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine?
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine has a molecular weight of 279.44 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine is sourced from PubChem (CID 105051215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).