N-(1-cyclopropylethyl)-2-fluoroaniline

C11H14FN — CID 43194895

IUPACN-(1-cyclopropylethyl)-2-fluoroaniline
SMILESCC(Nc1ccccc1F)C1CC1
InChIInChI=1S/C11H14FN/c1-8(9-6-7-9)13-11-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3
InChIKeyDSWMEZAEEFPQLM-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.04
Rot. Bonds3

About N-(1-cyclopropylethyl)-2-fluoroaniline

N-(1-cyclopropylethyl)-2-fluoroaniline (PubChem CID 43194895) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-fluoroaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-fluoroaniline
PubChem CID43194895
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-(1-cyclopropylethyl)-2-fluoroaniline
SMILESCC(Nc1ccccc1F)C1CC1
InChIInChI=1S/C11H14FN/c1-8(9-6-7-9)13-11-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3
InChIKeyDSWMEZAEEFPQLM-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
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N-(1-cyclopropylethyl)-2,3-dimethylaniline
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2-(1-cyclopropylethylamino)benzenesulfonamide
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N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43763348
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol
CID 173469571
3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
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N-(1-cyclohexylethyl)-2-propan-2-ylaniline
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-fluoroaniline?
The IUPAC name of N-(1-cyclopropylethyl)-2-fluoroaniline (CID 43194895) is N-(1-cyclopropylethyl)-2-fluoroaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-fluoroaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-2-fluoroaniline is CC(Nc1ccccc1F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-fluoroaniline?
The InChIKey is DSWMEZAEEFPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8(9-6-7-9)13-11-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2-fluoroaniline?
N-(1-cyclopropylethyl)-2-fluoroaniline has a molecular weight of 179.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-fluoroaniline is sourced from PubChem (CID 43194895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).