1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine

C18H21F2N — CID 115849318

IUPAC1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc(C)c(F)cc1F
InChIInChI=1S/C18H21F2N/c1-13-11-15(17(20)12-16(13)19)18(21-2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,18,21H,6,9-10H2,1-2H3
InChIKeyQJKWXSUUWXVCDY-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.56
Rot. Bonds6

About 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine

1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 115849318) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
PubChem CID115849318
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cc(C)c(F)cc1F
InChIInChI=1S/C18H21F2N/c1-13-11-15(17(20)12-16(13)19)18(21-2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,18,21H,6,9-10H2,1-2H3
InChIKeyQJKWXSUUWXVCDY-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,4-difluoro-5-methylphenyl)-3-phenylpropyl]hydrazine
CID 105285916
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115794160
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
CID 115849651
1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863
[1-(4-fluoro-3-methylphenyl)-4-phenylbutyl]hydrazine
CID 105203971
[1-(2-fluoro-4-methylphenyl)-4-phenylbutyl]hydrazine
CID 105299781
1-(3-bromo-2-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849363
[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
CID 105279983
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 107503560

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine (CID 115849318) is 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is QJKWXSUUWXVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-13-11-15(17(20)12-16(13)19)18(21-2)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12,18,21H,6,9-10H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine?
1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 115849318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).