2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine

C10H19ClF3NO2 — CID 63387453

IUPAC2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCOCC(Cl)CN(C)CCCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO2/c1-15(6-9(11)7-16-2)4-3-5-17-8-10(12,13)14/h9H,3-8H2,1-2H3
InChIKeyMCWNPCKYABFVDA-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.14
Rot. Bonds9

About 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine

2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (PubChem CID 63387453) has the molecular formula C10H19ClF3NO2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
PubChem CID63387453
Molecular FormulaC10H19ClF3NO2
Molecular Weight277.71 g/mol
Exact Mass277.11
IUPAC Name2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCOCC(Cl)CN(C)CCCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO2/c1-15(6-9(11)7-16-2)4-3-5-17-8-10(12,13)14/h9H,3-8H2,1-2H3
InChIKeyMCWNPCKYABFVDA-UHFFFAOYSA-N
XLogP2.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63386739
N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63386794
N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63386916
N-(2-chloroethyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63387086
2-chloro-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63387449
2-chloro-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63387581
2-chloro-N-(2,2-difluoroethyl)-3-methoxy-N-methylpropan-1-amine
CID 63387833
N-(2-chloroethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63387910
2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63388168
N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 63388282
N-(2-chloroethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 63389083
N-(3-chloropropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63389270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (CID 63387453) is 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is COCC(Cl)CN(C)CCCOCC(F)(F)F.
What is the InChIKey of 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The InChIKey is MCWNPCKYABFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO2/c1-15(6-9(11)7-16-2)4-3-5-17-8-10(12,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine has a molecular weight of 277.71 g/mol, XLogP of 2.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is sourced from PubChem (CID 63387453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).