2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline

C9H11F3N2 — CID 96763613

IUPAC2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
SMILESC[C@@H](N)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2/c1-5(13)7-3-2-6(4-8(7)14)9(10,11)12/h2-5H,13-14H2,1H3/t5-/m1/s1
InChIKeyBZSKYJKUDNTGBH-RXMQYKEDSA-N
MW204.20 g/mol
LogP2.31
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline

2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline (PubChem CID 96763613) has the molecular formula C9H11F3N2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
PubChem CID96763613
Molecular FormulaC9H11F3N2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
SMILESC[C@@H](N)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2/c1-5(13)7-3-2-6(4-8(7)14)9(10,11)12/h2-5H,13-14H2,1H3/t5-/m1/s1
InChIKeyBZSKYJKUDNTGBH-RXMQYKEDSA-N
XLogP2.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
(1S)-1-[2-bromo-4-(trifluoromethyl)phenyl]ethanamine
CID 131172048
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033
1-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82783494
2-[2-amino-4-(trifluoromethyl)phenyl]propan-2-ylsulfanylmethanediamine
CID 146253911

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline (CID 96763613) is 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline is C[C@@H](N)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline?
The InChIKey is BZSKYJKUDNTGBH-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-5(13)7-3-2-6(4-8(7)14)9(10,11)12/h2-5H,13-14H2,1H3/t5-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline?
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline has a molecular weight of 204.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 96763613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).