(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine

C9H10F3N — CID 56971822

IUPAC(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](N)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3/t8-/m0/s1
InChIKeyUXPQTBRCSUZWOK-QMMMGPOBSA-N
MW189.18 g/mol
LogP2.56
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine

(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine (PubChem CID 56971822) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
PubChem CID56971822
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](N)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3/t8-/m0/s1
InChIKeyUXPQTBRCSUZWOK-QMMMGPOBSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone
CID 158988709
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
ethane;1-methyl-4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]benzene
CID 165055887
1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene
CID 86327346
1-[(1S)-1-chloro-2,2,2-trifluoroethyl]-4-methylbenzene
CID 94794260
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-methylphenol
CID 66510873
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171247770
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
CID 66510878

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine (CID 56971822) is (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](N)C(F)(F)F)cc1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine?
The InChIKey is UXPQTBRCSUZWOK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine?
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 56971822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).