3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine

C19H24FN — CID 64767776

IUPAC3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine
SMILESCNC(Cc1ccc(C)cc1)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C19H24FN/c1-14-5-7-15(8-6-14)13-18(21-4)19(2,3)16-9-11-17(20)12-10-16/h5-12,18,21H,13H2,1-4H3
InChIKeyMSFYIAXCLGCKEL-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.24
Rot. Bonds5

About 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine

3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine (PubChem CID 64767776) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine
PubChem CID64767776
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine
SMILESCNC(Cc1ccc(C)cc1)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C19H24FN/c1-14-5-7-15(8-6-14)13-18(21-4)19(2,3)16-9-11-17(20)12-10-16/h5-12,18,21H,13H2,1-4H3
InChIKeyMSFYIAXCLGCKEL-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 64769125
1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 64768760
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769134
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
N-ethyl-3,3-dimethyl-1-(4-methylphenyl)pentan-2-amine
CID 62678800

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine (CID 64767776) is 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine is CNC(Cc1ccc(C)cc1)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine?
The InChIKey is MSFYIAXCLGCKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-14-5-7-15(8-6-14)13-18(21-4)19(2,3)16-9-11-17(20)12-10-16/h5-12,18,21H,13H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine?
3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 64767776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).