N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C17H26FN — CID 115852878

IUPACN-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H26FN/c1-7-19-14(15-16(3,4)17(15,5)6)12-10-11(2)8-9-13(12)18/h8-10,14-15,19H,7H2,1-6H3
InChIKeyWDMCNARLFCRHJK-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.47
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 115852878) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID115852878
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H26FN/c1-7-19-14(15-16(3,4)17(15,5)6)12-10-11(2)8-9-13(12)18/h8-10,14-15,19H,7H2,1-6H3
InChIKeyWDMCNARLFCRHJK-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
N-[(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105022703
N-[(2-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998275
N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66476109
N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475348
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
N-[(2,2,3,3-tetramethylcyclopropyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 66475920
N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66476492
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852769

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 115852878) is N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is WDMCNARLFCRHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-7-19-14(15-16(3,4)17(15,5)6)12-10-11(2)8-9-13(12)18/h8-10,14-15,19H,7H2,1-6H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 115852878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).