1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C13H21FN2O — CID 116954012

IUPAC1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(c1cc(F)ccc1OC)C(C)(C)NC
InChIInChI=1S/C13H21FN2O/c1-13(2,16-4)12(15-3)10-8-9(14)6-7-11(10)17-5/h6-8,12,15-16H,1-5H3
InChIKeyPQHWPWQFZXVUCP-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.09
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 116954012) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID116954012
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(c1cc(F)ccc1OC)C(C)(C)NC
InChIInChI=1S/C13H21FN2O/c1-13(2,16-4)12(15-3)10-8-9(14)6-7-11(10)17-5/h6-8,12,15-16H,1-5H3
InChIKeyPQHWPWQFZXVUCP-UHFFFAOYSA-N
XLogP2.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 82771720
1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954007
[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
CID 105330933
1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954031
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 79660521
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 116954012) is 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNC(c1cc(F)ccc1OC)C(C)(C)NC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is PQHWPWQFZXVUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(2,16-4)12(15-3)10-8-9(14)6-7-11(10)17-5/h6-8,12,15-16H,1-5H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 116954012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).