4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline

C16H17F3N2 — CID 154634122

IUPAC4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
SMILESCC(CC(F)(F)F)(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H17F3N2/c1-15(10-16(17,18)19,11-2-6-13(20)7-3-11)12-4-8-14(21)9-5-12/h2-9H,10,20-21H2,1H3
InChIKeyCHOMVWPPNJDCIS-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.11
Rot. Bonds3

About 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline

4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline (PubChem CID 154634122) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
PubChem CID154634122
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
SMILESCC(CC(F)(F)F)(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H17F3N2/c1-15(10-16(17,18)19,11-2-6-13(20)7-3-11)12-4-8-14(21)9-5-12/h2-9H,10,20-21H2,1H3
InChIKeyCHOMVWPPNJDCIS-UHFFFAOYSA-N
XLogP4.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
3,3-bis(4-aminophenyl)butanenitrile
CID 154634129
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
benzene;4-tert-butylaniline
CID 175140068
4-(1,1,2-trifluoroethyl)aniline
CID 138013807
1,4-bis(trifluoromethyl)benzene;1,1,1,3,3-pentafluorobutane
CID 174165148
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
CID 143399660
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline
CID 22315966
4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline
CID 148686128
molecular iodine;4-(trifluoromethyl)aniline
CID 158841642
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]aniline
CID 123485897

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline (CID 154634122) is 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline is CC(CC(F)(F)F)(c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline?
The InChIKey is CHOMVWPPNJDCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-15(10-16(17,18)19,11-2-6-13(20)7-3-11)12-4-8-14(21)9-5-12/h2-9H,10,20-21H2,1H3.
What are the key properties of 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline?
4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline has a molecular weight of 294.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline is sourced from PubChem (CID 154634122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).