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

C15H22FN — CID 66044344

IUPACN-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(Cc1ccc(F)cc1)NCC
InChIInChI=1S/C15H22FN/c1-4-12(3)10-15(17-5-2)11-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-11H2,1-2H3
InChIKeyWMRUBQPBAVKSAF-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.70
Rot. Bonds7

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

N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine (PubChem CID 66044344) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
PubChem CID66044344
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(Cc1ccc(F)cc1)NCC
InChIInChI=1S/C15H22FN/c1-4-12(3)10-15(17-5-2)11-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-11H2,1-2H3
InChIKeyWMRUBQPBAVKSAF-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66036851
1-(3,5-difluorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66039224
1-fluoro-4-(2-methylidenebutyl)benzene
CID 91243133
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66040411
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336
N-ethyl-1-(4-fluorophenyl)non-8-en-2-amine
CID 107008868
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602453
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine (CID 66044344) is N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine is C=C(CC)CC(Cc1ccc(F)cc1)NCC.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine?
The InChIKey is WMRUBQPBAVKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-4-12(3)10-15(17-5-2)11-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine?
N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine is sourced from PubChem (CID 66044344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).