1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine

C13H21FN2O — CID 103395769

IUPAC1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1ccc(OC)cc1F
InChIInChI=1S/C13H21FN2O/c1-15-13(7-8-16(2)3)11-6-5-10(17-4)9-12(11)14/h5-6,9,13,15H,7-8H2,1-4H3
InChIKeyHXEGMWRAUNKVOS-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.05
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine

1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 103395769) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID103395769
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1ccc(OC)cc1F
InChIInChI=1S/C13H21FN2O/c1-15-13(7-8-16(2)3)11-6-5-10(17-4)9-12(11)14/h5-6,9,13,15H,7-8H2,1-4H3
InChIKeyHXEGMWRAUNKVOS-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
2-(4-chlorophenoxy)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 103397391
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
1-(2-fluoro-4-methoxyphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 103397402
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 107513729
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine (CID 103395769) is 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is HXEGMWRAUNKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-15-13(7-8-16(2)3)11-6-5-10(17-4)9-12(11)14/h5-6,9,13,15H,7-8H2,1-4H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 103395769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).