N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

C10H12ClF3N2O — CID 106181325

IUPACN-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOCC(CCl)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N2O/c1-17-6-7(5-11)15-9-4-2-3-8(16-9)10(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyJCDWRWFJHQLIFY-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.77
Rot. Bonds5

About N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 106181325) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID106181325
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOCC(CCl)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N2O/c1-17-6-7(5-11)15-9-4-2-3-8(16-9)10(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyJCDWRWFJHQLIFY-UHFFFAOYSA-N
XLogP2.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 62735148
N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 79267996
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
CID 65314262
1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 103875643
N-(4-chloro-1-methoxybutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 114150928
N-(1-chloro-3-methoxypropan-2-yl)pyrimidin-4-amine
CID 106181660
6-N-(1-methoxybutan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 80836609
(2S,3S)-3-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 120964651
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
3-methoxy-2-[(6-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106186402
N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 113268493
5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine
CID 106181473

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 106181325) is N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is COCC(CCl)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JCDWRWFJHQLIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-17-6-7(5-11)15-9-4-2-3-8(16-9)10(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 268.67 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106181325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).