N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine

C16H22FN — CID 134527108

IUPACN-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine
SMILESC=C(CC)CC(C)c1cc(F)ccc1N=C(C)C
InChIInChI=1S/C16H22FN/c1-6-12(4)9-13(5)15-10-14(17)7-8-16(15)18-11(2)3/h7-8,10,13H,4,6,9H2,1-3,5H3
InChIKeyFQRBYUDMGRQTOW-UHFFFAOYSA-N
MW247.36 g/mol
LogP5.40
Rot. Bonds5

About N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine

N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine (PubChem CID 134527108) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine
PubChem CID134527108
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine
SMILESC=C(CC)CC(C)c1cc(F)ccc1N=C(C)C
InChIInChI=1S/C16H22FN/c1-6-12(4)9-13(5)15-10-14(17)7-8-16(15)18-11(2)3/h7-8,10,13H,4,6,9H2,1-3,5H3
InChIKeyFQRBYUDMGRQTOW-UHFFFAOYSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.36
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
CID 78939401
1-amino-4-(2,5-difluorophenyl)pentan-2-ol
CID 83936130
2-(2,5-difluorophenyl)pentan-3-ol
CID 79299015
(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130985582
1-(2,5-difluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 79184848
(1S)-1-(2-bromo-5-fluorophenyl)-3-methylbut-3-en-1-amine
CID 130939820
N-(4-fluoro-2-methylphenyl)propanimidoyl bromide
CID 154643488
N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 153370465
(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine
CID 166833945
methyl 3-(2-chloro-5-fluorophenyl)butanoate
CID 171372743
N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
CID 66044344
1-(2,5-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817515

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine?
The IUPAC name of N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine (CID 134527108) is N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine.
What is the SMILES notation for N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine?
The canonical SMILES for N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine is C=C(CC)CC(C)c1cc(F)ccc1N=C(C)C.
What is the InChIKey of N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine?
The InChIKey is FQRBYUDMGRQTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-6-12(4)9-13(5)15-10-14(17)7-8-16(15)18-11(2)3/h7-8,10,13H,4,6,9H2,1-3,5H3.
What are the key properties of N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine?
N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine has a molecular weight of 247.36 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-methylidenehexan-2-yl)phenyl]propan-2-imine is sourced from PubChem (CID 134527108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).