1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine

C32H52FN — CID 162035254

IUPAC1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine
SMILESC.C.C.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)Cc1ccccn1
InChIInChI=1S/C10H13F.C10H14.C9H13N.3CH4/c1-8(2)7-9-5-3-4-6-10(9)11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-10-9;;;/h3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3*1H4
InChIKeyYWOGUKFKMAHZGY-UHFFFAOYSA-N
MW469.77 g/mol
LogP10.10
Rot. Bonds6

About 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine

1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine (PubChem CID 162035254) has the molecular formula C32H52FN and a molecular weight of 469.77 g/mol. Its IUPAC name is 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine
PubChem CID162035254
Molecular FormulaC32H52FN
Molecular Weight469.77 g/mol
Exact Mass469.41
IUPAC Name1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine
SMILESC.C.C.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)Cc1ccccn1
InChIInChI=1S/C10H13F.C10H14.C9H13N.3CH4/c1-8(2)7-9-5-3-4-6-10(9)11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-10-9;;;/h3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3*1H4
InChIKeyYWOGUKFKMAHZGY-UHFFFAOYSA-N
XLogP10.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.77
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine 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

(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
ethane;2-methylpropylbenzene
CID 162200929
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine
CID 167613413
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine
CID 159695001
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296
2-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544108
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine?
The IUPAC name of 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine (CID 162035254) is 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine.
What is the SMILES notation for 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine?
The canonical SMILES for 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine is C.C.C.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)Cc1ccccn1.
What is the InChIKey of 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine?
The InChIKey is YWOGUKFKMAHZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C10H14.C9H13N.3CH4/c1-8(2)7-9-5-3-4-6-10(9)11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-10-9;;;/h3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3*1H4.
What are the key properties of 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine?
1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine has a molecular weight of 469.77 g/mol, XLogP of 10.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine is sourced from PubChem (CID 162035254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).