1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine

C16H16ClF3N2O2 — CID 170890970

IUPAC1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H16ClF3N2O2/c1-9(21)6-10-4-3-5-13(23-2)14(10)24-15-12(17)7-11(8-22-15)16(18,19)20/h3-5,7-9H,6,21H2,1-2H3
InChIKeyLMKDQMOUMHPZFB-UHFFFAOYSA-N
MW360.76 g/mol
LogP4.44
Rot. Bonds5

About 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine

1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine (PubChem CID 170890970) has the molecular formula C16H16ClF3N2O2 and a molecular weight of 360.76 g/mol. Its IUPAC name is 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine
PubChem CID170890970
Molecular FormulaC16H16ClF3N2O2
Molecular Weight360.76 g/mol
Exact Mass360.09
IUPAC Name1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H16ClF3N2O2/c1-9(21)6-10-4-3-5-13(23-2)14(10)24-15-12(17)7-11(8-22-15)16(18,19)20/h3-5,7-9H,6,21H2,1-2H3
InChIKeyLMKDQMOUMHPZFB-UHFFFAOYSA-N
XLogP4.44
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592486
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
CID 79173484
naphthalen-1-yl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 141479455
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite
CID 162586671
2-N-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627099

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine (CID 170890970) is 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine is COc1cccc(CC(C)N)c1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine?
The InChIKey is LMKDQMOUMHPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O2/c1-9(21)6-10-4-3-5-13(23-2)14(10)24-15-12(17)7-11(8-22-15)16(18,19)20/h3-5,7-9H,6,21H2,1-2H3.
What are the key properties of 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine?
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine has a molecular weight of 360.76 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 170890970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).