N-(2-fluoroethyl)-2-propylaniline

C11H16FN — CID 80695673

IUPACN-(2-fluoroethyl)-2-propylaniline
SMILESCCCc1ccccc1NCCF
InChIInChI=1S/C11H16FN/c1-2-5-10-6-3-4-7-11(10)13-9-8-12/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKeyMBCVJZMJOHBFGT-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.02
Rot. Bonds5

About N-(2-fluoroethyl)-2-propylaniline

N-(2-fluoroethyl)-2-propylaniline (PubChem CID 80695673) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-propylaniline.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-propylaniline
PubChem CID80695673
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-(2-fluoroethyl)-2-propylaniline
SMILESCCCc1ccccc1NCCF
InChIInChI=1S/C11H16FN/c1-2-5-10-6-3-4-7-11(10)13-9-8-12/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKeyMBCVJZMJOHBFGT-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-propyl-N-(4,4,4-trifluorobutyl)aniline
CID 113326332
N-(4,4-dimethylpentyl)-2-propylaniline
CID 114209394
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
N-(2-fluoroethyl)-2-(methoxymethyl)aniline
CID 80695014
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
2-(2-propylanilino)ethanesulfonamide
CID 114384948
N-(3-phenylbutyl)-2-propylaniline
CID 63434100
N-methyl-4-(2-propylanilino)butanamide
CID 63891193
methyl 4-(2-propylanilino)butanoate
CID 54963180
2-(2-butylanilino)ethanol
CID 139597188
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
2-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62700857

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-propylaniline?
The IUPAC name of N-(2-fluoroethyl)-2-propylaniline (CID 80695673) is N-(2-fluoroethyl)-2-propylaniline.
What is the SMILES notation for N-(2-fluoroethyl)-2-propylaniline?
The canonical SMILES for N-(2-fluoroethyl)-2-propylaniline is CCCc1ccccc1NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-propylaniline?
The InChIKey is MBCVJZMJOHBFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-2-5-10-6-3-4-7-11(10)13-9-8-12/h3-4,6-7,13H,2,5,8-9H2,1H3.
What are the key properties of N-(2-fluoroethyl)-2-propylaniline?
N-(2-fluoroethyl)-2-propylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-propylaniline is sourced from PubChem (CID 80695673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).