N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine

C10H11ClF3NO — CID 115257878

IUPACN-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESCOc1ccc(CNCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF3NO/c1-16-8-3-2-7(9(11)4-8)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyONACOMHIXNHMPE-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine

N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 115257878) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID115257878
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC NameN-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESCOc1ccc(CNCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF3NO/c1-16-8-3-2-7(9(11)4-8)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyONACOMHIXNHMPE-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 115413846
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
3-[(2-chloro-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224893
3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol
CID 115216842
2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132718
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257865
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 102876575
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine (CID 115257878) is N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine is COc1ccc(CNCC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is ONACOMHIXNHMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-16-8-3-2-7(9(11)4-8)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine?
N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 253.65 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 115257878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).