2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine

C13H20FN — CID 112566808

IUPAC2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
SMILESCc1ccc(CC(F)(CN)C(C)C)cc1
InChIInChI=1S/C13H20FN/c1-10(2)13(14,9-15)8-12-6-4-11(3)5-7-12/h4-7,10H,8-9,15H2,1-3H3
InChIKeyIVIWVMDHFCMUFB-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.86
Rot. Bonds4

About 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine

2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine (PubChem CID 112566808) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
PubChem CID112566808
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
SMILESCc1ccc(CC(F)(CN)C(C)C)cc1
InChIInChI=1S/C13H20FN/c1-10(2)13(14,9-15)8-12-6-4-11(3)5-7-12/h4-7,10H,8-9,15H2,1-3H3
InChIKeyIVIWVMDHFCMUFB-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-[(4-iodophenyl)methyl]-3-methylbutan-1-amine
CID 112566939
2-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566729
2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 112566938
2-fluoro-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 112566865
2-fluoro-3-methyl-2-(pyridin-3-ylmethyl)butan-1-amine
CID 104737459
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
CID 122239506
2-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 102864838
2-[(2,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566952
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
CID 106488870

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine (CID 112566808) is 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine is Cc1ccc(CC(F)(CN)C(C)C)cc1.
What is the InChIKey of 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The InChIKey is IVIWVMDHFCMUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-10(2)13(14,9-15)8-12-6-4-11(3)5-7-12/h4-7,10H,8-9,15H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine?
2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 112566808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).