4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline

C18H19BrFN — CID 63449370

IUPAC4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19BrFN/c1-11-9-15(19)10-12(2)17(11)21-18(13-3-4-13)14-5-7-16(20)8-6-14/h5-10,13,18,21H,3-4H2,1-2H3
InChIKeyWWKZXJFBTUDKKT-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.77
Rot. Bonds4

About 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline

4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline (PubChem CID 63449370) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
PubChem CID63449370
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19BrFN/c1-11-9-15(19)10-12(2)17(11)21-18(13-3-4-13)14-5-7-16(20)8-6-14/h5-10,13,18,21H,3-4H2,1-2H3
InChIKeyWWKZXJFBTUDKKT-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline
CID 63449062
4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
CID 63449070
2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43772571
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine
CID 65483337
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448207
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline
CID 81287071
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline (CID 63449370) is 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline?
The InChIKey is WWKZXJFBTUDKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-11-9-15(19)10-12(2)17(11)21-18(13-3-4-13)14-5-7-16(20)8-6-14/h5-10,13,18,21H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline?
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline has a molecular weight of 348.26 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 63449370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).