2-benzyl-N-(3-fluoropropyl)aniline

C16H18FN — CID 81106198

IUPAC2-benzyl-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H18FN/c17-11-6-12-18-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2
InChIKeyWXXCXXOSSJHYBP-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.05
Rot. Bonds6

About 2-benzyl-N-(3-fluoropropyl)aniline

2-benzyl-N-(3-fluoropropyl)aniline (PubChem CID 81106198) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-benzyl-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name2-benzyl-N-(3-fluoropropyl)aniline
PubChem CID81106198
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-benzyl-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H18FN/c17-11-6-12-18-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2
InChIKeyWXXCXXOSSJHYBP-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.05
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

4-(2-benzylanilino)butanenitrile
CID 28578029
2-benzyl-N-(3-methylsulfanylpropyl)aniline
CID 28534154
2-benzyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554179
2-benzyl-N-hept-6-enylaniline
CID 107006464
methyl 4-(2-benzylanilino)butanoate
CID 43377876
2-benzyl-N-pent-3-ynylaniline
CID 104806026
2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline
CID 22457026
2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 11437461
2-bromo-N-(3-fluoropropyl)aniline
CID 81105386
2-(3-fluoropropylamino)benzaldehyde
CID 84657874
N-(2-benzylphenyl)hydroxylamine
CID 3014197
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3-fluoropropyl)aniline?
The IUPAC name of 2-benzyl-N-(3-fluoropropyl)aniline (CID 81106198) is 2-benzyl-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 2-benzyl-N-(3-fluoropropyl)aniline?
The canonical SMILES for 2-benzyl-N-(3-fluoropropyl)aniline is FCCCNc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(3-fluoropropyl)aniline?
The InChIKey is WXXCXXOSSJHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c17-11-6-12-18-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2.
What are the key properties of 2-benzyl-N-(3-fluoropropyl)aniline?
2-benzyl-N-(3-fluoropropyl)aniline has a molecular weight of 243.33 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 81106198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).