1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

C14H23FN2O — CID 112700389

IUPAC1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOc1cccc(F)c1C(C)NCC(C)N(C)C
InChIInChI=1S/C14H23FN2O/c1-10(17(3)4)9-16-11(2)14-12(15)7-6-8-13(14)18-5/h6-8,10-11,16H,9H2,1-5H3
InChIKeyOQOSAWIJLWVUCK-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.43
Rot. Bonds6

About 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 112700389) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID112700389
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOc1cccc(F)c1C(C)NCC(C)N(C)C
InChIInChI=1S/C14H23FN2O/c1-10(17(3)4)9-16-11(2)14-12(15)7-6-8-13(14)18-5/h6-8,10-11,16H,9H2,1-5H3
InChIKeyOQOSAWIJLWVUCK-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 112699983
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 112700389) is 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is COc1cccc(F)c1C(C)NCC(C)N(C)C.
What is the InChIKey of 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is OQOSAWIJLWVUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-10(17(3)4)9-16-11(2)14-12(15)7-6-8-13(14)18-5/h6-8,10-11,16H,9H2,1-5H3.
What are the key properties of 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 112700389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).