N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline

C16H15BrF3N — CID 43758454

IUPACN-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
SMILESCCC(Nc1ccccc1C(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C16H15BrF3N/c1-2-14(11-6-5-7-12(17)10-11)21-15-9-4-3-8-13(15)16(18,19)20/h3-10,14,21H,2H2,1H3
InChIKeyRXFDWOPJMROZQN-UHFFFAOYSA-N
MW358.20 g/mol
LogP6.03
Rot. Bonds4

About N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline

N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline (PubChem CID 43758454) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
PubChem CID43758454
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC NameN-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
SMILESCCC(Nc1ccccc1C(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C16H15BrF3N/c1-2-14(11-6-5-7-12(17)10-11)21-15-9-4-3-8-13(15)16(18,19)20/h3-10,14,21H,2H2,1H3
InChIKeyRXFDWOPJMROZQN-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
CID 107629905
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
CID 43789736
2-[1-(3-bromophenyl)propylamino]-6-fluorobenzonitrile
CID 43778312
methyl 2-[1-(3-bromophenyl)propylamino]benzoate
CID 43774543
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine
CID 43780492
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
CID 43760231
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline (CID 43758454) is N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline is CCC(Nc1ccccc1C(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline?
The InChIKey is RXFDWOPJMROZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-2-14(11-6-5-7-12(17)10-11)21-15-9-4-3-8-13(15)16(18,19)20/h3-10,14,21H,2H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline?
N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline has a molecular weight of 358.20 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43758454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).