(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

C15H21F2N — CID 79724121

IUPAC(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1cc(C(N)C2C(C)(C)C2(C)C)c(F)cc1F
InChIInChI=1S/C15H21F2N/c1-8-6-9(11(17)7-10(8)16)12(18)13-14(2,3)15(13,4)5/h6-7,12-13H,18H2,1-5H3
InChIKeyBWDQGHLPJPFFNE-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.96
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 79724121) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID79724121
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1cc(C(N)C2C(C)(C)C2(C)C)c(F)cc1F
InChIInChI=1S/C15H21F2N/c1-8-6-9(11(17)7-10(8)16)12(18)13-14(2,3)15(13,4)5/h6-7,12-13H,18H2,1-5H3
InChIKeyBWDQGHLPJPFFNE-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 81045779
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
(2,5-dichlorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66478207
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 79724121) is (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is Cc1cc(C(N)C2C(C)(C)C2(C)C)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is BWDQGHLPJPFFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-8-6-9(11(17)7-10(8)16)12(18)13-14(2,3)15(13,4)5/h6-7,12-13H,18H2,1-5H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 79724121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).