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

C17H20FN — CID 60705049

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
SMILESCc1cc(CNCCCc2ccccc2)ccc1F
InChIInChI=1S/C17H20FN/c1-14-12-16(9-10-17(14)18)13-19-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,19H,5,8,11,13H2,1H3
InChIKeyKKYBZHMLLBJUNJ-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.86
Rot. Bonds6

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

N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine (PubChem CID 60705049) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
PubChem CID60705049
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
SMILESCc1cc(CNCCCc2ccccc2)ccc1F
InChIInChI=1S/C17H20FN/c1-14-12-16(9-10-17(14)18)13-19-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,19H,5,8,11,13H2,1H3
InChIKeyKKYBZHMLLBJUNJ-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.86
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

N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 113232261
N',N'-diethyl-N-[(4-fluoro-3-methylphenyl)methyl]propane-1,3-diamine
CID 55040345
3-[(4-fluoro-3-methylphenyl)methylamino]propane-1-sulfonic acid
CID 58691913
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-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 63378460
3,3,3-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63226166
5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113340247
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124
N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine;oxalic acid
CID 17078916
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 39293355

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine (CID 60705049) is N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine is Cc1cc(CNCCCc2ccccc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine?
The InChIKey is KKYBZHMLLBJUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-14-12-16(9-10-17(14)18)13-19-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,19H,5,8,11,13H2,1H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 60705049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).