1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine

C10H11ClF3NO — CID 170891292

IUPAC1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO/c1-6(15)2-7-3-8(11)5-9(4-7)16-10(12,13)14/h3-6H,2,15H2,1H3
InChIKeyXGAOHYAZWXNEHI-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.13
Rot. Bonds3

About 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine

1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine (PubChem CID 170891292) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
PubChem CID170891292
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO/c1-6(15)2-7-3-8(11)5-9(4-7)16-10(12,13)14/h3-6H,2,15H2,1H3
InChIKeyXGAOHYAZWXNEHI-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893687
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
ethyl 3-[3-chloro-5-(trifluoromethoxy)phenyl]propanoate
CID 134632586
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
CID 139743645
1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
CID 130192199
1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine
CID 117307572
1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117337696
1-chloro-3-iodo-5-(trifluoromethoxy)benzene
CID 148567184
2-(2-aminopropyl)-4-(trifluoromethoxy)phenol
CID 170890931
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine (CID 170891292) is 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine is CC(N)Cc1cc(Cl)cc(OC(F)(F)F)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine?
The InChIKey is XGAOHYAZWXNEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-6(15)2-7-3-8(11)5-9(4-7)16-10(12,13)14/h3-6H,2,15H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine?
1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine has a molecular weight of 253.65 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 170891292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).