5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C10H19ClF3NO — CID 106153053

IUPAC5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCC(CCl)CCCNCCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO/c1-9(7-11)3-2-4-15-5-6-16-8-10(12,13)14/h9,15H,2-8H2,1H3
InChIKeyPEXFBLBHAJTCFR-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.81
Rot. Bonds9

About 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 106153053) has the molecular formula C10H19ClF3NO and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID106153053
Molecular FormulaC10H19ClF3NO
Molecular Weight261.71 g/mol
Exact Mass261.11
IUPAC Name5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCC(CCl)CCCNCCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO/c1-9(7-11)3-2-4-15-5-6-16-8-10(12,13)14/h9,15H,2-8H2,1H3
InChIKeyPEXFBLBHAJTCFR-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine
CID 146439046
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pentan-1-amine
CID 55092870
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 61490795
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 63826603
1-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 65024556
N-[(2-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65024895
1-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 65025420
1-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 65025487
1-chloro-4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 65025888
3-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-3-amine
CID 65029858
2-chloro-2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 65030443
3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 65032000

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 106153053) is 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CC(CCl)CCCNCCOCC(F)(F)F.
What is the InChIKey of 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is PEXFBLBHAJTCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO/c1-9(7-11)3-2-4-15-5-6-16-8-10(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 261.71 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 106153053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).