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

C9H17ClF3NO2 — CID 65024338

IUPAC2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCOCC(Cl)CNCCCOCC(F)(F)F
InChIInChI=1S/C9H17ClF3NO2/c1-15-6-8(10)5-14-3-2-4-16-7-9(11,12)13/h8,14H,2-7H2,1H3
InChIKeyPCIFSBBACZZTJQ-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.80
Rot. Bonds9

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

2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (PubChem CID 65024338) has the molecular formula C9H17ClF3NO2 and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
PubChem CID65024338
Molecular FormulaC9H17ClF3NO2
Molecular Weight263.69 g/mol
Exact Mass263.09
IUPAC Name2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCOCC(Cl)CNCCCOCC(F)(F)F
InChIInChI=1S/C9H17ClF3NO2/c1-15-6-8(10)5-14-3-2-4-16-7-9(11,12)13/h8,14H,2-7H2,1H3
InChIKeyPCIFSBBACZZTJQ-UHFFFAOYSA-N
XLogP1.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
CID 65023754
2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064
methyl 2-bromo-3-[3-(2,2,2-trifluoroethoxy)propylamino]propanoate
CID 103492218
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol
CID 107152188
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106121614
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55126815
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (CID 65024338) is 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is COCC(Cl)CNCCCOCC(F)(F)F.
What is the InChIKey of 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The InChIKey is PCIFSBBACZZTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClF3NO2/c1-15-6-8(10)5-14-3-2-4-16-7-9(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine has a molecular weight of 263.69 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is sourced from PubChem (CID 65024338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).