2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline

C12H18FN — CID 93283017

IUPAC2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
SMILESCC[C@@H](Nc1ccccc1F)C(C)C
InChIInChI=1S/C12H18FN/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3/t11-/m1/s1
InChIKeyJJRLRRFZXHLGOJ-LLVKDONJSA-N
MW195.28 g/mol
LogP3.67
Rot. Bonds4

About 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline

2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline (PubChem CID 93283017) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
PubChem CID93283017
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
SMILESCC[C@@H](Nc1ccccc1F)C(C)C
InChIInChI=1S/C12H18FN/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3/t11-/m1/s1
InChIKeyJJRLRRFZXHLGOJ-LLVKDONJSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
3-fluoro-1-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469418
2-(2-fluoroanilino)-3-methylpentan-1-ol
CID 61319749
2-fluoro-6-(2-methylpentan-3-ylamino)benzonitrile
CID 43778303
2-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469461
2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline
CID 43759530
2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
CID 115921635
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol
CID 114201083

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline?
The IUPAC name of 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline (CID 93283017) is 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline.
What is the SMILES notation for 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline?
The canonical SMILES for 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline is CC[C@@H](Nc1ccccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline?
The InChIKey is JJRLRRFZXHLGOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline?
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline has a molecular weight of 195.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline is sourced from PubChem (CID 93283017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).