4-(4-fluorophenyl)-N-methylhexan-3-amine

C13H20FN — CID 79307068

IUPAC4-(4-fluorophenyl)-N-methylhexan-3-amine
SMILESCCC(NC)C(CC)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-4-12(13(5-2)15-3)10-6-8-11(14)9-7-10/h6-9,12-13,15H,4-5H2,1-3H3
InChIKeyAMQBPAIYWSFTRJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.32
Rot. Bonds5

About 4-(4-fluorophenyl)-N-methylhexan-3-amine

4-(4-fluorophenyl)-N-methylhexan-3-amine (PubChem CID 79307068) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methylhexan-3-amine
PubChem CID79307068
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-(4-fluorophenyl)-N-methylhexan-3-amine
SMILESCCC(NC)C(CC)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-4-12(13(5-2)15-3)10-6-8-11(14)9-7-10/h6-9,12-13,15H,4-5H2,1-3H3
InChIKeyAMQBPAIYWSFTRJ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 105055608
N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine
CID 79298629
1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine
CID 83047873
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
1-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368
3-(4-fluorophenyl)heptan-4-amine
CID 83047471
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
N-ethyl-1-(4-fluorophenyl)-3-phenylpentan-2-amine
CID 115786119
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 115839364

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methylhexan-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-methylhexan-3-amine (CID 79307068) is 4-(4-fluorophenyl)-N-methylhexan-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methylhexan-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methylhexan-3-amine is CCC(NC)C(CC)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methylhexan-3-amine?
The InChIKey is AMQBPAIYWSFTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-12(13(5-2)15-3)10-6-8-11(14)9-7-10/h6-9,12-13,15H,4-5H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-N-methylhexan-3-amine?
4-(4-fluorophenyl)-N-methylhexan-3-amine has a molecular weight of 209.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methylhexan-3-amine is sourced from PubChem (CID 79307068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).