1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine

C18H21F2N — CID 43483072

IUPAC1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCCC(C)c1ccc(C(NC)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2N/c1-4-12(2)13-5-7-14(8-6-13)18(21-3)16-10-9-15(19)11-17(16)20/h5-12,18,21H,4H2,1-3H3
InChIKeyNKBXHXFPKGWAHF-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.79
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine

1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine (PubChem CID 43483072) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
PubChem CID43483072
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCCC(C)c1ccc(C(NC)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2N/c1-4-12(2)13-5-7-14(8-6-13)18(21-3)16-10-9-15(19)11-17(16)20/h5-12,18,21H,4H2,1-3H3
InChIKeyNKBXHXFPKGWAHF-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63509751
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,4-difluorobenzene
CID 63430296
4-butan-2-yl-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43681088
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-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481266
1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 116506091
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114330491
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine (CID 43483072) is 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine is CCC(C)c1ccc(C(NC)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is NKBXHXFPKGWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-12(2)13-5-7-14(8-6-13)18(21-3)16-10-9-15(19)11-17(16)20/h5-12,18,21H,4H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.79, 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-(2,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43483072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).