5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline

C18H22FN — CID 107875814

IUPAC5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
SMILESCc1ccc(F)cc1NCC(c1ccccc1)C(C)C
InChIInChI=1S/C18H22FN/c1-13(2)17(15-7-5-4-6-8-15)12-20-18-11-16(19)10-9-14(18)3/h4-11,13,17,20H,12H2,1-3H3
InChIKeyJKGDZQNMEZAZCM-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.99
Rot. Bonds5

About 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline

5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline (PubChem CID 107875814) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
PubChem CID107875814
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
SMILESCc1ccc(F)cc1NCC(c1ccccc1)C(C)C
InChIInChI=1S/C18H22FN/c1-13(2)17(15-7-5-4-6-8-15)12-20-18-11-16(19)10-9-14(18)3/h4-11,13,17,20H,12H2,1-3H3
InChIKeyJKGDZQNMEZAZCM-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107875822
4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
CID 107876162
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943
3-bromo-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876494
4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107876218
5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77029557
2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol
CID 107876208
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215
3-bromo-5-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876485

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline?
The IUPAC name of 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline (CID 107875814) is 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline is Cc1ccc(F)cc1NCC(c1ccccc1)C(C)C.
What is the InChIKey of 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline?
The InChIKey is JKGDZQNMEZAZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13(2)17(15-7-5-4-6-8-15)12-20-18-11-16(19)10-9-14(18)3/h4-11,13,17,20H,12H2,1-3H3.
What are the key properties of 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline?
5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline has a molecular weight of 271.38 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline is sourced from PubChem (CID 107875814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).