2-fluoro-5-methyl-N-(3-phenylpropyl)aniline

C16H18FN — CID 28877675

IUPAC2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
SMILESCc1ccc(F)c(NCCCc2ccccc2)c1
InChIInChI=1S/C16H18FN/c1-13-9-10-15(17)16(12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3
InChIKeyQHGKZSKDAHYZCN-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.18
Rot. Bonds5

About 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline

2-fluoro-5-methyl-N-(3-phenylpropyl)aniline (PubChem CID 28877675) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
PubChem CID28877675
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
SMILESCc1ccc(F)c(NCCCc2ccccc2)c1
InChIInChI=1S/C16H18FN/c1-13-9-10-15(17)16(12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3
InChIKeyQHGKZSKDAHYZCN-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
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

2,5-dimethyl-N-(4-phenylbutyl)aniline
CID 114333158
2,4,5-trifluoro-N-(3-phenylpropyl)aniline
CID 55118204
2-fluoro-N-(3-phenylpropyl)-5-(trifluoromethyl)aniline
CID 63462918
N-butyl-2-fluoro-5-methylaniline
CID 28877664
2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
CID 83961718
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931336
N-(3,3-dimethylbutyl)-2-fluoro-5-methylaniline
CID 60679773
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
CID 114333431

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline (CID 28877675) is 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline is Cc1ccc(F)c(NCCCc2ccccc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline?
The InChIKey is QHGKZSKDAHYZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-13-9-10-15(17)16(12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline?
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline has a molecular weight of 243.33 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 28877675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).