(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine

C14H20FN — CID 107001276

IUPAC(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)C2CC2(C)C)cc(C)c1F
InChIInChI=1S/C14H20FN/c1-8-5-10(6-9(2)12(8)15)13(16)11-7-14(11,3)4/h5-6,11,13H,7,16H2,1-4H3
InChIKeyLTZDQQMKPSKNCU-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.49
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine

(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine (PubChem CID 107001276) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
PubChem CID107001276
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)C2CC2(C)C)cc(C)c1F
InChIInChI=1S/C14H20FN/c1-8-5-10(6-9(2)12(8)15)13(16)11-7-14(11,3)4/h5-6,11,13H,7,16H2,1-4H3
InChIKeyLTZDQQMKPSKNCU-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

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Related Compounds

(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107002536
(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130024
(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107001453
(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107515949
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
CID 107004134
2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299135
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
CID 107001422
(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine
CID 55278415
5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 66476187
(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299288

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine (CID 107001276) is (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine is Cc1cc(C(N)C2CC2(C)C)cc(C)c1F.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The InChIKey is LTZDQQMKPSKNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-8-5-10(6-9(2)12(8)15)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-3,5-dimethylphenyl)methanamine?
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-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-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 107001276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).