(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine

C10H12F3NO — CID 56971873

IUPAC(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc([C@H](N)C(F)(F)F)cc1C
InChIInChI=1S/C10H12F3NO/c1-6-5-7(3-4-8(6)15-2)9(14)10(11,12)13/h3-5,9H,14H2,1-2H3/t9-/m0/s1
InChIKeyHYQMHOVPRKGRHW-VIFPVBQESA-N
MW219.21 g/mol
LogP2.57
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine

(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 56971873) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID56971873
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc([C@H](N)C(F)(F)F)cc1C
InChIInChI=1S/C10H12F3NO/c1-6-5-7(3-4-8(6)15-2)9(14)10(11,12)13/h3-5,9H,14H2,1-2H3/t9-/m0/s1
InChIKeyHYQMHOVPRKGRHW-VIFPVBQESA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
CID 66511017
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
methyl (3R)-3-amino-3-(4-methoxy-3-methylphenyl)-2,2-dimethylpropanoate
CID 171244192
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171247770
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 96622534
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine (CID 56971873) is (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine is COc1ccc([C@H](N)C(F)(F)F)cc1C.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is HYQMHOVPRKGRHW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6-5-7(3-4-8(6)15-2)9(14)10(11,12)13/h3-5,9H,14H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine?
(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 56971873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).