N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine

C16H26FN3O — CID 115718706

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCC1CN(C)CCN1C
InChIInChI=1S/C16H26FN3O/c1-12(16-14(17)6-5-7-15(16)21-4)18-10-13-11-19(2)8-9-20(13)3/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyRPIMBMDWIRIUJV-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.73
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine (PubChem CID 115718706) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
PubChem CID115718706
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCC1CN(C)CCN1C
InChIInChI=1S/C16H26FN3O/c1-12(16-14(17)6-5-7-15(16)21-4)18-10-13-11-19(2)8-9-20(13)3/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyRPIMBMDWIRIUJV-UHFFFAOYSA-N
XLogP1.73
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115710006
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115724414
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 103782974
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 112700305
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 63896870
2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 97334409

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine (CID 115718706) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine is COc1cccc(F)c1C(C)NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The InChIKey is RPIMBMDWIRIUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-12(16-14(17)6-5-7-15(16)21-4)18-10-13-11-19(2)8-9-20(13)3/h5-7,12-13,18H,8-11H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine has a molecular weight of 295.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine is sourced from PubChem (CID 115718706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).