1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine

C13H19F2NO — CID 79616365

IUPAC1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C(C)OC
InChIInChI=1S/C13H19F2NO/c1-4-5-16-13(9(2)17-3)10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyGITXJNCHSIWQTC-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.04
Rot. Bonds6

About 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine

1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine (PubChem CID 79616365) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
PubChem CID79616365
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C(C)OC
InChIInChI=1S/C13H19F2NO/c1-4-5-16-13(9(2)17-3)10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyGITXJNCHSIWQTC-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557
2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 79616237
2-methoxy-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79616716
2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-propylpropan-1-amine
CID 64534211
2-methoxy-1-(4-propoxyphenyl)-N-propylpropan-1-amine
CID 79617326
2-methyl-N-propyl-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 79445771
2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43495812
1-(6-chloro-2,3-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
CID 114275197
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242
N-[2-tert-butylsulfanyl-1-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 65132746
N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105142084

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine (CID 79616365) is 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine is CCCNC(c1cc(F)cc(F)c1)C(C)OC.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine?
The InChIKey is GITXJNCHSIWQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-5-16-13(9(2)17-3)10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine?
1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 79616365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).