5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol

C14H22FNO — CID 113340247

IUPAC5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
SMILESCc1cc(CNCCCC(C)CO)ccc1F
InChIInChI=1S/C14H22FNO/c1-11(10-17)4-3-7-16-9-13-5-6-14(15)12(2)8-13/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyBILNDCGMABQTNM-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.63
Rot. Bonds7

About 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol

5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol (PubChem CID 113340247) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
PubChem CID113340247
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
SMILESCc1cc(CNCCCC(C)CO)ccc1F
InChIInChI=1S/C14H22FNO/c1-11(10-17)4-3-7-16-9-13-5-6-14(15)12(2)8-13/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyBILNDCGMABQTNM-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113344574
5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 106833862
2-methyl-5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 103859629
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62692850
3-[(4-fluoro-3-methylphenyl)methylamino]propane-1-sulfonic acid
CID 58691913
5-[(4-fluoro-3-methylphenyl)methylamino]pentan-2-one
CID 115236437
5-[(3-bromophenyl)methylamino]-2-methylpentan-1-ol
CID 103859555
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 113340286
N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
CID 60705049
N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 113232261
3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 115639477
4-[[(5-hydroxy-4-methylpentyl)amino]methyl]benzonitrile
CID 103859641

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol (CID 113340247) is 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol is Cc1cc(CNCCCC(C)CO)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol?
The InChIKey is BILNDCGMABQTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(10-17)4-3-7-16-9-13-5-6-14(15)12(2)8-13/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol?
5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 113340247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).