N-[(3-fluorophenyl)methyl]-4-propylaniline

C16H18FN — CID 29045443

IUPACN-[(3-fluorophenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-2-4-13-7-9-16(10-8-13)18-12-14-5-3-6-15(17)11-14/h3,5-11,18H,2,4,12H2,1H3
InChIKeyJSZIDIOOAUPWKW-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.39
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-4-propylaniline

N-[(3-fluorophenyl)methyl]-4-propylaniline (PubChem CID 29045443) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-propylaniline
PubChem CID29045443
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC NameN-[(3-fluorophenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-2-4-13-7-9-16(10-8-13)18-12-14-5-3-6-15(17)11-14/h3,5-11,18H,2,4,12H2,1H3
InChIKeyJSZIDIOOAUPWKW-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
CID 115212901
N-[(3-bromo-5-fluorophenyl)methyl]-4-propylaniline
CID 79710238
N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
CID 105370804
4-fluoro-2-[(4-propylanilino)methyl]phenol
CID 103947766
5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532755
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
CID 60685363
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-propylaniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-propylaniline (CID 29045443) is N-[(3-fluorophenyl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-propylaniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-propylaniline is CCCc1ccc(NCc2cccc(F)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-propylaniline?
The InChIKey is JSZIDIOOAUPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-2-4-13-7-9-16(10-8-13)18-12-14-5-3-6-15(17)11-14/h3,5-11,18H,2,4,12H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-propylaniline?
N-[(3-fluorophenyl)methyl]-4-propylaniline has a molecular weight of 243.33 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-propylaniline is sourced from PubChem (CID 29045443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).