N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine

C14H22FNO — CID 113232261

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
SMILESCOCCCCCNCc1ccc(F)c(C)c1
InChIInChI=1S/C14H22FNO/c1-12-10-13(6-7-14(12)15)11-16-8-4-3-5-9-17-2/h6-7,10,16H,3-5,8-9,11H2,1-2H3
InChIKeyVFCNTLNRDUVDED-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.04
Rot. Bonds8

About N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine

N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine (PubChem CID 113232261) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
PubChem CID113232261
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
SMILESCOCCCCCNCc1ccc(F)c(C)c1
InChIInChI=1S/C14H22FNO/c1-12-10-13(6-7-14(12)15)11-16-8-4-3-5-9-17-2/h6-7,10,16H,3-5,8-9,11H2,1-2H3
InChIKeyVFCNTLNRDUVDED-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103654079
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 62120248
N-[(3-bromo-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103880524
3-[(4-fluoro-3-methylphenyl)methylamino]propane-1-sulfonic acid
CID 58691913
N-[(4-chloro-3-methylphenyl)methyl]-3-methoxypropan-1-amine
CID 103990923
N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
CID 60705049
N',N'-diethyl-N-[(4-fluoro-3-methylphenyl)methyl]propane-1,3-diamine
CID 55040345
3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 115639477
5-[(4-fluoro-3-methylphenyl)methylamino]pentan-2-one
CID 115236437
N'-[(3-bromo-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 107951104
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 63378460

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine (CID 113232261) is N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine is COCCCCCNCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine?
The InChIKey is VFCNTLNRDUVDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-12-10-13(6-7-14(12)15)11-16-8-4-3-5-9-17-2/h6-7,10,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine is sourced from PubChem (CID 113232261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).