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

C10H19ClF3NO — CID 65024834

IUPAC1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
SMILESCCC(C)(CCl)NCCCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO/c1-3-9(2,7-11)15-5-4-6-16-8-10(12,13)14/h15H,3-8H2,1-2H3
InChIKeyNMICZTSJLWORTF-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.95
Rot. Bonds8

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

1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine (PubChem CID 65024834) has the molecular formula C10H19ClF3NO and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
PubChem CID65024834
Molecular FormulaC10H19ClF3NO
Molecular Weight261.71 g/mol
Exact Mass261.11
IUPAC Name1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
SMILESCCC(C)(CCl)NCCCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO/c1-3-9(2,7-11)15-5-4-6-16-8-10(12,13)14/h15H,3-8H2,1-2H3
InChIKeyNMICZTSJLWORTF-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.95
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

1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine
CID 104649741
1-chloro-2-methyl-N-propylbutan-2-amine
CID 65024728
1-chloro-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentane
CID 66059966
3-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 66036764
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491042
1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 65025714
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
1-(3-butoxypropyl)-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111238925

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine (CID 65024834) is 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine is CCC(C)(CCl)NCCCOCC(F)(F)F.
What is the InChIKey of 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine?
The InChIKey is NMICZTSJLWORTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO/c1-3-9(2,7-11)15-5-4-6-16-8-10(12,13)14/h15H,3-8H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine?
1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine has a molecular weight of 261.71 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine is sourced from PubChem (CID 65024834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).