3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline

C16H17BrFN — CID 107582160

IUPAC3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
SMILESCc1cc(Br)cc(NC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H17BrFN/c1-11-7-14(17)10-16(8-11)19-12(2)9-13-3-5-15(18)6-4-13/h3-8,10,12,19H,9H2,1-2H3
InChIKeyCVPBBTKDDDXDOO-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.94
Rot. Bonds4

About 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline

3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline (PubChem CID 107582160) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
PubChem CID107582160
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
SMILESCc1cc(Br)cc(NC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H17BrFN/c1-11-7-14(17)10-16(8-11)19-12(2)9-13-3-5-15(18)6-4-13/h3-8,10,12,19H,9H2,1-2H3
InChIKeyCVPBBTKDDDXDOO-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-methyl-N-(1-phenylpropan-2-yl)aniline
CID 107582127
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methoxyaniline
CID 114830578
3-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzene-1,3-diamine
CID 112647737
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline
CID 114830408
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
2-fluoro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 115485422
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
CID 103582511
3-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115917453

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline (CID 107582160) is 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline is Cc1cc(Br)cc(NC(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline?
The InChIKey is CVPBBTKDDDXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-7-14(17)10-16(8-11)19-12(2)9-13-3-5-15(18)6-4-13/h3-8,10,12,19H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline?
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline has a molecular weight of 322.22 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline is sourced from PubChem (CID 107582160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).