N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine

C15H20BrF3N2 — CID 60792541

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H20BrF3N2/c1-9-8-21(3)10(2)6-14(9)20-13-5-4-11(16)7-12(13)15(17,18)19/h4-5,7,9-10,14,20H,6,8H2,1-3H3
InChIKeyPNVDZSKOXDTGHB-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.61
Rot. Bonds2

About N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine

N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 60792541) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID60792541
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H20BrF3N2/c1-9-8-21(3)10(2)6-14(9)20-13-5-4-11(16)7-12(13)15(17,18)19/h4-5,7,9-10,14,20H,6,8H2,1-3H3
InChIKeyPNVDZSKOXDTGHB-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5-trimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 43665342
3-[4-bromo-2-(trifluoromethyl)anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633741
N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 54863711
4-bromo-N-(2-phenylcyclopropyl)-2-(trifluoromethyl)aniline
CID 65484003
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733137
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 60885883
N-(2-fluoro-3-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 113354253
N-(5-chloro-2-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665303
N-(2-ethoxy-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43730175
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 65484778
N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466120

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine (CID 60792541) is N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is PNVDZSKOXDTGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-9-8-21(3)10(2)6-14(9)20-13-5-4-11(16)7-12(13)15(17,18)19/h4-5,7,9-10,14,20H,6,8H2,1-3H3.
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine?
N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 365.24 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 60792541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).