1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine

C15H25FN2O — CID 82770289

IUPAC1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cc(F)ccc1OC
InChIInChI=1S/C15H25FN2O/c1-5-9-17-14(8-10-18(2)3)13-11-12(16)6-7-15(13)19-4/h6-7,11,14,17H,5,8-10H2,1-4H3
InChIKeyFMYJRGOEPMJHHJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.83
Rot. Bonds8

About 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine

1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine (PubChem CID 82770289) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
PubChem CID82770289
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cc(F)ccc1OC
InChIInChI=1S/C15H25FN2O/c1-5-9-17-14(8-10-18(2)3)13-11-12(16)6-7-15(13)19-4/h6-7,11,14,17H,5,8-10H2,1-4H3
InChIKeyFMYJRGOEPMJHHJ-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
N-[2-tert-butylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 82770576
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205
1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 115346847
N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 115346850
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
CID 83943899
N-[(5-fluoro-2-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66476113
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
1-(3-fluoro-4-methoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089310
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine (CID 82770289) is 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)C)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine?
The InChIKey is FMYJRGOEPMJHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-9-17-14(8-10-18(2)3)13-11-12(16)6-7-15(13)19-4/h6-7,11,14,17H,5,8-10H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine?
1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 82770289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).