4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine

C15H24FN — CID 82923491

IUPAC4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
SMILESCCC(CC)CC(Cc1ccc(F)cc1)NC
InChIInChI=1S/C15H24FN/c1-4-12(5-2)10-15(17-3)11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyMTDYIJGRLGCMCW-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds7

About 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine

4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine (PubChem CID 82923491) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
PubChem CID82923491
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
SMILESCCC(CC)CC(Cc1ccc(F)cc1)NC
InChIInChI=1S/C15H24FN/c1-4-12(5-2)10-15(17-3)11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyMTDYIJGRLGCMCW-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958964
N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740
3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
CID 61000357
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine?
The IUPAC name of 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine (CID 82923491) is 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine.
What is the SMILES notation for 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine?
The canonical SMILES for 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine is CCC(CC)CC(Cc1ccc(F)cc1)NC.
What is the InChIKey of 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine?
The InChIKey is MTDYIJGRLGCMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-12(5-2)10-15(17-3)11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine?
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine is sourced from PubChem (CID 82923491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).