N-cyclopropyl-4-fluoro-3-methylaniline

C10H12FN — CID 83694970

IUPACN-cyclopropyl-4-fluoro-3-methylaniline
SMILESCc1cc(NC2CC2)ccc1F
InChIInChI=1S/C10H12FN/c1-7-6-9(4-5-10(7)11)12-8-2-3-8/h4-6,8,12H,2-3H2,1H3
InChIKeyBSHLLNTUHQXICR-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.71
Rot. Bonds2

About N-cyclopropyl-4-fluoro-3-methylaniline

N-cyclopropyl-4-fluoro-3-methylaniline (PubChem CID 83694970) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-methylaniline
PubChem CID83694970
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC NameN-cyclopropyl-4-fluoro-3-methylaniline
SMILESCc1cc(NC2CC2)ccc1F
InChIInChI=1S/C10H12FN/c1-7-6-9(4-5-10(7)11)12-8-2-3-8/h4-6,8,12H,2-3H2,1H3
InChIKeyBSHLLNTUHQXICR-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-(3-methoxycyclobutyl)-3-methylaniline
CID 104870459
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669
N-(4-fluoro-3-methylphenyl)-1-phenylpiperidin-4-amine
CID 103892780
trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
CID 102731211
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
4-bromo-N-cyclopropyl-3-fluoroaniline
CID 103439274
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(4-fluoro-3-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862761
(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine
CID 114227819

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-methylaniline?
The IUPAC name of N-cyclopropyl-4-fluoro-3-methylaniline (CID 83694970) is N-cyclopropyl-4-fluoro-3-methylaniline.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-methylaniline?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-methylaniline is Cc1cc(NC2CC2)ccc1F.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-methylaniline?
The InChIKey is BSHLLNTUHQXICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-7-6-9(4-5-10(7)11)12-8-2-3-8/h4-6,8,12H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-4-fluoro-3-methylaniline?
N-cyclopropyl-4-fluoro-3-methylaniline has a molecular weight of 165.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-methylaniline is sourced from PubChem (CID 83694970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).