5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine

C15H24FN — CID 110174705

IUPAC5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
SMILESCc1ccc(CC(C)NCCCCCF)cc1
InChIInChI=1S/C15H24FN/c1-13-6-8-15(9-7-13)12-14(2)17-11-5-3-4-10-16/h6-9,14,17H,3-5,10-12H2,1-2H3
InChIKeyHGLVPQJVFGNDSA-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.66
Rot. Bonds8

About 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine

5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine (PubChem CID 110174705) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
PubChem CID110174705
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
SMILESCc1ccc(CC(C)NCCCCCF)cc1
InChIInChI=1S/C15H24FN/c1-13-6-8-15(9-7-13)12-14(2)17-11-5-3-4-10-16/h6-9,14,17H,3-5,10-12H2,1-2H3
InChIKeyHGLVPQJVFGNDSA-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
4-[1-(4-methylphenyl)propan-2-ylamino]butan-2-ol
CID 115720232
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
4-[2-(decylamino)propyl]phenol
CID 115494442
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
2-chloro-5-[3-[1-(4-methylphenyl)propan-2-ylamino]propyl]aniline
CID 167555712
N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
CID 67833845
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine?
The IUPAC name of 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine (CID 110174705) is 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine.
What is the SMILES notation for 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine?
The canonical SMILES for 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine is Cc1ccc(CC(C)NCCCCCF)cc1.
What is the InChIKey of 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine?
The InChIKey is HGLVPQJVFGNDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-13-6-8-15(9-7-13)12-14(2)17-11-5-3-4-10-16/h6-9,14,17H,3-5,10-12H2,1-2H3.
What are the key properties of 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine?
5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine is sourced from PubChem (CID 110174705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).