2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline

C17H19F2N — CID 103584755

IUPAC2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline
SMILESCc1cc(F)c(NCCC(C)c2ccccc2)cc1F
InChIInChI=1S/C17H19F2N/c1-12(14-6-4-3-5-7-14)8-9-20-17-11-15(18)13(2)10-16(17)19/h3-7,10-12,20H,8-9H2,1-2H3
InChIKeyFXNNTDNRRHGLMB-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.88
Rot. Bonds5

About 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline

2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline (PubChem CID 103584755) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline
PubChem CID103584755
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline
SMILESCc1cc(F)c(NCCC(C)c2ccccc2)cc1F
InChIInChI=1S/C17H19F2N/c1-12(14-6-4-3-5-7-14)8-9-20-17-11-15(18)13(2)10-16(17)19/h3-7,10-12,20H,8-9H2,1-2H3
InChIKeyFXNNTDNRRHGLMB-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 63422940
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
CID 103585744
2,6-difluoro-1-N-(3-phenylbutyl)benzene-1,4-diamine
CID 62986800
4-methyl-N-(3-phenylbutyl)pyridin-3-amine
CID 55201696
4-methyl-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 62988549
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911
4-N-(3-phenylbutyl)benzene-1,2,4-triamine
CID 106750765
3-bromo-2-methyl-N-(3-phenylbutyl)aniline
CID 107630204
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
2,6-dichloro-4-(3-phenylbutylamino)phenol
CID 107679289
N-(3-phenylbutyl)-2-propylaniline
CID 63434100
2-(3-phenylbutylamino)benzoic acid
CID 63423081

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline (CID 103584755) is 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline is Cc1cc(F)c(NCCC(C)c2ccccc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline?
The InChIKey is FXNNTDNRRHGLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12(14-6-4-3-5-7-14)8-9-20-17-11-15(18)13(2)10-16(17)19/h3-7,10-12,20H,8-9H2,1-2H3.
What are the key properties of 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline?
2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline has a molecular weight of 275.34 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline is sourced from PubChem (CID 103584755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).