(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine

C14H20FN — CID 107001453

IUPAC(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cc(F)cc(C)c1C(N)C1CC1(C)C
InChIInChI=1S/C14H20FN/c1-8-5-10(15)6-9(2)12(8)13(16)11-7-14(11,3)4/h5-6,11,13H,7,16H2,1-4H3
InChIKeyBBTVJNSFYLXGDX-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.49
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine

(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine (PubChem CID 107001453) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
PubChem CID107001453
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cc(F)cc(C)c1C(N)C1CC1(C)C
InChIInChI=1S/C14H20FN/c1-8-5-10(15)6-9(2)12(8)13(16)11-7-14(11,3)4/h5-6,11,13H,7,16H2,1-4H3
InChIKeyBBTVJNSFYLXGDX-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine 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-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 107001276
(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130024
(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107515949
(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
CID 107004134
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001430
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107002536
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001449
1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
CID 106877205
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
[(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107005864
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine (CID 107001453) is (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine is Cc1cc(F)cc(C)c1C(N)C1CC1(C)C.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The InChIKey is BBTVJNSFYLXGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-8-5-10(15)6-9(2)12(8)13(16)11-7-14(11,3)4/h5-6,11,13H,7,16H2,1-4H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine is sourced from PubChem (CID 107001453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).