2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

C17H27F2N — CID 105408222

IUPAC2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H27F2N/c1-5-6-17(4,12-20-11-13(2)3)10-14-7-15(18)9-16(19)8-14/h7-9,13,20H,5-6,10-12H2,1-4H3
InChIKeyLVIONMIDVSVAOT-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.56
Rot. Bonds8

About 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 105408222) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID105408222
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H27F2N/c1-5-6-17(4,12-20-11-13(2)3)10-14-7-15(18)9-16(19)8-14/h7-9,13,20H,5-6,10-12H2,1-4H3
InChIKeyLVIONMIDVSVAOT-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63509440
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63508741
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
2-methyl-N-(2-methylpropyl)-2-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 112644099
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 63509368
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
CID 105411138
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (CID 105408222) is 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is CCCC(C)(CNCC(C)C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is LVIONMIDVSVAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-5-6-17(4,12-20-11-13(2)3)10-14-7-15(18)9-16(19)8-14/h7-9,13,20H,5-6,10-12H2,1-4H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 105408222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).