2-fluoro-N-(2-methylidenebutyl)aniline

C11H14FN — CID 66045449

IUPAC2-fluoro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccccc1F
InChIInChI=1S/C11H14FN/c1-3-9(2)8-13-11-7-5-4-6-10(11)12/h4-7,13H,2-3,8H2,1H3
InChIKeyGOUBCXNNAARDKC-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.20
Rot. Bonds4

About 2-fluoro-N-(2-methylidenebutyl)aniline

2-fluoro-N-(2-methylidenebutyl)aniline (PubChem CID 66045449) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylidenebutyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-methylidenebutyl)aniline
PubChem CID66045449
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-fluoro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccccc1F
InChIInChI=1S/C11H14FN/c1-3-9(2)8-13-11-7-5-4-6-10(11)12/h4-7,13H,2-3,8H2,1H3
InChIKeyGOUBCXNNAARDKC-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(2-methylidenebutyl)aniline
CID 66045919
2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
CID 66045918
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
N-(2-methylidenebutyl)-2-propan-2-ylaniline
CID 66045915
2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine
CID 106759620
2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
CID 126987109
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437375
N-[2-(2-fluorophenyl)ethyl]-2-methylidenebutan-1-amine
CID 66047104
2-(2-fluoroanilino)-N-pentan-3-ylacetamide
CID 60671369
2,6-dimethyl-N-(2-methylidenebutyl)aniline
CID 66044989
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003873

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylidenebutyl)aniline?
The IUPAC name of 2-fluoro-N-(2-methylidenebutyl)aniline (CID 66045449) is 2-fluoro-N-(2-methylidenebutyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-methylidenebutyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-methylidenebutyl)aniline is C=C(CC)CNc1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methylidenebutyl)aniline?
The InChIKey is GOUBCXNNAARDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-9(2)8-13-11-7-5-4-6-10(11)12/h4-7,13H,2-3,8H2,1H3.
What are the key properties of 2-fluoro-N-(2-methylidenebutyl)aniline?
2-fluoro-N-(2-methylidenebutyl)aniline has a molecular weight of 179.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylidenebutyl)aniline is sourced from PubChem (CID 66045449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).