1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

C15H23F2NO — CID 116720190

IUPAC1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(F)c(F)c1)C(OC)C(C)C
InChIInChI=1S/C15H23F2NO/c1-5-18-14(15(19-4)10(2)3)9-11-6-7-12(16)13(17)8-11/h6-8,10,14-15,18H,5,9H2,1-4H3
InChIKeyODHMFNBZMKBUGM-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.16
Rot. Bonds7

About 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (PubChem CID 116720190) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
PubChem CID116720190
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(F)c(F)c1)C(OC)C(C)C
InChIInChI=1S/C15H23F2NO/c1-5-18-14(15(19-4)10(2)3)9-11-6-7-12(16)13(17)8-11/h6-8,10,14-15,18H,5,9H2,1-4H3
InChIKeyODHMFNBZMKBUGM-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 103040493
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 102619350
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720568
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (CID 116720190) is 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine is CCNC(Cc1ccc(F)c(F)c1)C(OC)C(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The InChIKey is ODHMFNBZMKBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-5-18-14(15(19-4)10(2)3)9-11-6-7-12(16)13(17)8-11/h6-8,10,14-15,18H,5,9H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 116720190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).