2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H18F3NO — CID 106705871

IUPAC2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNCC(COCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C13H18F3NO/c1-17-8-12(9-18-10-13(14,15)16)7-11-5-3-2-4-6-11/h2-6,12,17H,7-10H2,1H3
InChIKeyWDZQVBPHZRXDBO-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.64
Rot. Bonds7

About 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106705871) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106705871
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNCC(COCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C13H18F3NO/c1-17-8-12(9-18-10-13(14,15)16)7-11-5-3-2-4-6-11/h2-6,12,17H,7-10H2,1H3
InChIKeyWDZQVBPHZRXDBO-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705903
2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705873
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515043
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
2-[(4-bromophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515575
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759
N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
CID 106705939
2-benzyl-N-methylhexan-1-amine
CID 62529253
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361817

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106705871) is 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNCC(COCC(F)(F)F)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is WDZQVBPHZRXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-17-8-12(9-18-10-13(14,15)16)7-11-5-3-2-4-6-11/h2-6,12,17H,7-10H2,1H3.
What are the key properties of 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106705871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).