N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine

C18H21F2N — CID 43221166

IUPACN-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2N/c1-12(2)14-4-6-15(7-5-14)13(3)21-11-16-8-9-17(19)10-18(16)20/h4-10,12-13,21H,11H2,1-3H3
InChIKeyJZFISUQISCYVGS-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.94
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine

N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43221166) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43221166
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2N/c1-12(2)14-4-6-15(7-5-14)13(3)21-11-16-8-9-17(19)10-18(16)20/h4-10,12-13,21H,11H2,1-3H3
InChIKeyJZFISUQISCYVGS-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62049142
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347202
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
3-fluoro-4-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]benzonitrile
CID 81347792
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025388
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221510

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine (CID 43221166) is N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NCc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is JZFISUQISCYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-12(2)14-4-6-15(7-5-14)13(3)21-11-16-8-9-17(19)10-18(16)20/h4-10,12-13,21H,11H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine?
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.94, 5 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-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43221166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).