2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C14H19F4NO — CID 62515043

IUPAC2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(CCOCC(F)(F)F)Cc1ccc(F)cc1
InChIInChI=1S/C14H19F4NO/c1-19-9-12(6-7-20-10-14(16,17)18)8-11-2-4-13(15)5-3-11/h2-5,12,19H,6-10H2,1H3
InChIKeyKOTXAMKMOBJRIV-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.17
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62515043) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62515043
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(CCOCC(F)(F)F)Cc1ccc(F)cc1
InChIInChI=1S/C14H19F4NO/c1-19-9-12(6-7-20-10-14(16,17)18)8-11-2-4-13(15)5-3-11/h2-5,12,19H,6-10H2,1H3
InChIKeyKOTXAMKMOBJRIV-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515575
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759
N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705903
2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705871
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242
1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095198
2-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530373
1-[2-(bromomethyl)-4-propoxybutyl]-4-fluorobenzene
CID 106459629
5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 113474165
2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62514231
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516451

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62515043) is 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CNCC(CCOCC(F)(F)F)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is KOTXAMKMOBJRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-19-9-12(6-7-20-10-14(16,17)18)8-11-2-4-13(15)5-3-11/h2-5,12,19H,6-10H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 293.30 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62515043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).