N-(1-cyclopropylpropyl)-4-fluoroaniline

C12H16FN — CID 64918794

IUPACN-(1-cyclopropylpropyl)-4-fluoroaniline
SMILESCCC(Nc1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H16FN/c1-2-12(9-3-4-9)14-11-7-5-10(13)6-8-11/h5-9,12,14H,2-4H2,1H3
InChIKeyZJWXQJWHRNTBSJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.43
Rot. Bonds4

About N-(1-cyclopropylpropyl)-4-fluoroaniline

N-(1-cyclopropylpropyl)-4-fluoroaniline (PubChem CID 64918794) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-4-fluoroaniline
PubChem CID64918794
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-(1-cyclopropylpropyl)-4-fluoroaniline
SMILESCCC(Nc1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H16FN/c1-2-12(9-3-4-9)14-11-7-5-10(13)6-8-11/h5-9,12,14H,2-4H2,1H3
InChIKeyZJWXQJWHRNTBSJ-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-(4-fluoroanilino)ethanol
CID 61310926
4-(1-cyclopropylpropylamino)phenol
CID 64918837
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
CID 65436466
3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline
CID 107364173
2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile
CID 64919481
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
methyl 4-(1-cyclopropylpropylamino)benzoate
CID 64917542
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639
4-(1-cyclopropylpropylamino)-N,N-dimethylbenzamide
CID 64919471
5-(1-cyclopropylpropylamino)-2-fluorobenzamide
CID 64917346
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
CID 64919002

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-4-fluoroaniline?
The IUPAC name of N-(1-cyclopropylpropyl)-4-fluoroaniline (CID 64918794) is N-(1-cyclopropylpropyl)-4-fluoroaniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-4-fluoroaniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-4-fluoroaniline is CCC(Nc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-4-fluoroaniline?
The InChIKey is ZJWXQJWHRNTBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-12(9-3-4-9)14-11-7-5-10(13)6-8-11/h5-9,12,14H,2-4H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-4-fluoroaniline?
N-(1-cyclopropylpropyl)-4-fluoroaniline has a molecular weight of 193.27 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-4-fluoroaniline is sourced from PubChem (CID 64918794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).