1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

C19H24FN — CID 63509751

IUPAC1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCCC(C)c1ccc(C(NC)c2cc(F)ccc2C)cc1
InChIInChI=1S/C19H24FN/c1-5-13(2)15-7-9-16(10-8-15)19(21-4)18-12-17(20)11-6-14(18)3/h6-13,19,21H,5H2,1-4H3
InChIKeyKGGXXGMKRIVKEG-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.96
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 63509751) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID63509751
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCCC(C)c1ccc(C(NC)c2cc(F)ccc2C)cc1
InChIInChI=1S/C19H24FN/c1-5-13(2)15-7-9-16(10-8-15)19(21-4)18-12-17(20)11-6-14(18)3/h6-13,19,21H,5H2,1-4H3
InChIKeyKGGXXGMKRIVKEG-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 43483072
1-(5-fluoro-2-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 63509375
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(4-butan-2-ylphenyl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 81454136
1-(4-butan-2-ylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43483063
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755234
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128
1-(5-ethylfuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63048430
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (CID 63509751) is 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is CCC(C)c1ccc(C(NC)c2cc(F)ccc2C)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is KGGXXGMKRIVKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-5-13(2)15-7-9-16(10-8-15)19(21-4)18-12-17(20)11-6-14(18)3/h6-13,19,21H,5H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 63509751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).