N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline

C17H20FN — CID 105370804

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H20FN/c1-3-4-14-6-9-17(10-7-14)19-12-15-11-16(18)8-5-13(15)2/h5-11,19H,3-4,12H2,1-2H3
InChIKeyHVYQPWWIFIWSAQ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.70
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline

N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline (PubChem CID 105370804) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
PubChem CID105370804
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H20FN/c1-3-4-14-6-9-17(10-7-14)19-12-15-11-16(18)8-5-13(15)2/h5-11,19H,3-4,12H2,1-2H3
InChIKeyHVYQPWWIFIWSAQ-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-4-propylaniline
CID 55198828
4-fluoro-2-[(4-propylanilino)methyl]phenol
CID 103947766
N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
CID 105370985
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
N-[(2,4-dimethylphenyl)methyl]-4-propylaniline
CID 28533928
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
N-[(3-bromo-5-fluorophenyl)methyl]-4-propylaniline
CID 79710238
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline (CID 105370804) is N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline is CCCc1ccc(NCc2cc(F)ccc2C)cc1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline?
The InChIKey is HVYQPWWIFIWSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-4-14-6-9-17(10-7-14)19-12-15-11-16(18)8-5-13(15)2/h5-11,19H,3-4,12H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline?
N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline has a molecular weight of 257.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline is sourced from PubChem (CID 105370804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).