1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine

C19H24FN — CID 43484353

IUPAC1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCCCCc1ccc(C(Cc2ccc(F)cc2)NC)cc1
InChIInChI=1S/C19H24FN/c1-3-4-5-15-6-10-17(11-7-15)19(21-2)14-16-8-12-18(20)13-9-16/h6-13,19,21H,3-5,14H2,1-2H3
InChIKeyRJYQFDGHWJICDU-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.67
Rot. Bonds7

About 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine

1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 43484353) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID43484353
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCCCCc1ccc(C(Cc2ccc(F)cc2)NC)cc1
InChIInChI=1S/C19H24FN/c1-3-4-5-15-6-10-17(11-7-15)19(21-2)14-16-8-12-18(20)13-9-16/h6-13,19,21H,3-5,14H2,1-2H3
InChIKeyRJYQFDGHWJICDU-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 63419902
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63508379
1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549311
3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
CID 19892138
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333
N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride
CID 19996189
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine (CID 43484353) is 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine is CCCCc1ccc(C(Cc2ccc(F)cc2)NC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is RJYQFDGHWJICDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-3-4-5-15-6-10-17(11-7-15)19(21-2)14-16-8-12-18(20)13-9-16/h6-13,19,21H,3-5,14H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 43484353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).