2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline

C17H19BrFN — CID 114830408

IUPAC2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline
SMILESCc1cc(C)c(NC(C)Cc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C17H19BrFN/c1-11-8-12(2)17(16(18)9-11)20-13(3)10-14-4-6-15(19)7-5-14/h4-9,13,20H,10H2,1-3H3
InChIKeyVFTCZCXQOJNELQ-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.25
Rot. Bonds4

About 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline

2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline (PubChem CID 114830408) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline
PubChem CID114830408
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline
SMILESCc1cc(C)c(NC(C)Cc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C17H19BrFN/c1-11-8-12(2)17(16(18)9-11)20-13(3)10-14-4-6-15(19)7-5-14/h4-9,13,20H,10H2,1-3H3
InChIKeyVFTCZCXQOJNELQ-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
CID 107582160
3-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzene-1,3-diamine
CID 112647737
2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43126197
2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
CID 114830017
4-[2-(2,4,6-tribromoanilino)propyl]phenol
CID 115494008
2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 107610259
3-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylbenzene-1,3-diamine
CID 55140908
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methoxyaniline
CID 114830578
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline?
The IUPAC name of 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline (CID 114830408) is 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline.
What is the SMILES notation for 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline?
The canonical SMILES for 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline is Cc1cc(C)c(NC(C)Cc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline?
The InChIKey is VFTCZCXQOJNELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11-8-12(2)17(16(18)9-11)20-13(3)10-14-4-6-15(19)7-5-14/h4-9,13,20H,10H2,1-3H3.
What are the key properties of 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline?
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline has a molecular weight of 336.25 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline is sourced from PubChem (CID 114830408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).