N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C16H23F2N — CID 66476109

IUPACN-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H23F2N/c1-6-19-13(14-15(2,3)16(14,4)5)10-7-8-11(17)12(18)9-10/h7-9,13-14,19H,6H2,1-5H3
InChIKeyYCGAOGLOHKOGIC-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.30
Rot. Bonds4

About N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 66476109) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID66476109
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H23F2N/c1-6-19-13(14-15(2,3)16(14,4)5)10-7-8-11(17)12(18)9-10/h7-9,13-14,19H,6H2,1-5H3
InChIKeyYCGAOGLOHKOGIC-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105022703
N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115852878
N-[(3-bromo-4-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79747033
N-[5,6,7,8-tetrahydronaphthalen-2-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477249
N-[(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 65410532
N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477445
(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 66475995
N-[(6-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115854998
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
[(3-fluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 107130969
N-[(7-fluoro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105047588

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 66476109) is N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is YCGAOGLOHKOGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-6-19-13(14-15(2,3)16(14,4)5)10-7-8-11(17)12(18)9-10/h7-9,13-14,19H,6H2,1-5H3.
What are the key properties of N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 66476109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).