4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine

C16H24F3NO — CID 103031413

IUPAC4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H24F3NO/c1-5-10-20-13(8-9-16(2,3)21-4)11-6-7-12(17)15(19)14(11)18/h6-7,13,20H,5,8-10H2,1-4H3
InChIKeyMXKQAYAKXOHYTO-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.35
Rot. Bonds8

About 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine

4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine (PubChem CID 103031413) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
PubChem CID103031413
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H24F3NO/c1-5-10-20-13(8-9-16(2,3)21-4)11-6-7-12(17)15(19)14(11)18/h6-7,13,20H,5,8-10H2,1-4H3
InChIKeyMXKQAYAKXOHYTO-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115849735
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 102928614
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
CID 103031708
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine (CID 103031413) is 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine is CCCNC(CCC(C)(C)OC)c1ccc(F)c(F)c1F.
What is the InChIKey of 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The InChIKey is MXKQAYAKXOHYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-5-10-20-13(8-9-16(2,3)21-4)11-6-7-12(17)15(19)14(11)18/h6-7,13,20H,5,8-10H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 103031413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).