N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine

C10H19BrF3NO — CID 107488262

IUPACN-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCOC(C)(C)CCN(CCBr)CC(F)(F)F
InChIInChI=1S/C10H19BrF3NO/c1-9(2,16-3)4-6-15(7-5-11)8-10(12,13)14/h4-8H2,1-3H3
InChIKeyYYICTISUSPKMIG-UHFFFAOYSA-N
MW306.17 g/mol
LogP3.06
Rot. Bonds7

About N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine

N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 107488262) has the molecular formula C10H19BrF3NO and a molecular weight of 306.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID107488262
Molecular FormulaC10H19BrF3NO
Molecular Weight306.17 g/mol
Exact Mass305.06
IUPAC NameN-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCOC(C)(C)CCN(CCBr)CC(F)(F)F
InChIInChI=1S/C10H19BrF3NO/c1-9(2,16-3)4-6-15(7-5-11)8-10(12,13)14/h4-8H2,1-3H3
InChIKeyYYICTISUSPKMIG-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488353
N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107488476
N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488246
N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034073
N-(2-bromoethyl)-3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107488389
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 107488181
N-(2-bromoethyl)-N-(2-ethylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 107488447
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 107488601
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 107488340
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
N-(2-bromoethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107901327
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 107488262) is N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine is COC(C)(C)CCN(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is YYICTISUSPKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrF3NO/c1-9(2,16-3)4-6-15(7-5-11)8-10(12,13)14/h4-8H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 306.17 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 107488262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).