N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C15H21F2N — CID 79352064

IUPACN-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(CNCc2ccc(F)cc2F)C1(C)C
InChIInChI=1S/C15H21F2N/c1-14(2)13(15(14,3)4)9-18-8-10-5-6-11(16)7-12(10)17/h5-7,13,18H,8-9H2,1-4H3
InChIKeyUBAJQMAQALJQQN-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.74
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 79352064) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID79352064
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(CNCc2ccc(F)cc2F)C1(C)C
InChIInChI=1S/C15H21F2N/c1-14(2)13(15(14,3)4)9-18-8-10-5-6-11(16)7-12(10)17/h5-7,13,18H,8-9H2,1-4H3
InChIKeyUBAJQMAQALJQQN-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 79352064) is N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CC1(C)C(CNCc2ccc(F)cc2F)C1(C)C.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is UBAJQMAQALJQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-14(2)13(15(14,3)4)9-18-8-10-5-6-11(16)7-12(10)17/h5-7,13,18H,8-9H2,1-4H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 79352064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).