4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine

C14H21F3N2O — CID 102708203

IUPAC4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCCCNC(CCCOC)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-7-19-13(5-4-9-20-2)11-10-18-8-6-12(11)14(15,16)17/h6,8,10,13,19H,3-5,7,9H2,1-2H3
InChIKeyYXRALRZLFWFUEM-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.57
Rot. Bonds8

About 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine

4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine (PubChem CID 102708203) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
PubChem CID102708203
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCCCNC(CCCOC)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-7-19-13(5-4-9-20-2)11-10-18-8-6-12(11)14(15,16)17/h6,8,10,13,19H,3-5,7,9H2,1-2H3
InChIKeyYXRALRZLFWFUEM-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710333
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102709978
N-[2-propylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708209
1-[4-(trifluoromethyl)-3-pyridinyl]nonylhydrazine
CID 102710491
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
CID 105065946
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
CID 114856842

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine (CID 102708203) is 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine is CCCNC(CCCOC)c1cnccc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The InChIKey is YXRALRZLFWFUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-7-19-13(5-4-9-20-2)11-10-18-8-6-12(11)14(15,16)17/h6,8,10,13,19H,3-5,7,9H2,1-2H3.
What are the key properties of 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine has a molecular weight of 290.33 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 102708203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).