1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine

C16H25F2NO — CID 103029004

IUPAC1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC(C)(C)OC
InChIInChI=1S/C16H25F2NO/c1-5-8-19-13(11-16(2,3)20-4)9-12-6-7-14(17)15(18)10-12/h6-7,10,13,19H,5,8-9,11H2,1-4H3
InChIKeyUGFAMWBDOHGTGA-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.69
Rot. Bonds8

About 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine

1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 103029004) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID103029004
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC(C)(C)OC
InChIInChI=1S/C16H25F2NO/c1-5-8-19-13(11-16(2,3)20-4)9-12-6-7-14(17)15(18)10-12/h6-7,10,13,19H,5,8-9,11H2,1-4H3
InChIKeyUGFAMWBDOHGTGA-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 103029004) is 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(F)c(F)c1)CC(C)(C)OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is UGFAMWBDOHGTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-8-19-13(11-16(2,3)20-4)9-12-6-7-14(17)15(18)10-12/h6-7,10,13,19H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 285.38 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 103029004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).