1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine

C14H21F2N3O — CID 16780971

IUPAC1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CC(N)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C14H21F2N3O/c1-18-6-8-19(9-7-18)10-12(17)11-4-2-3-5-13(11)20-14(15)16/h2-5,12,14H,6-10,17H2,1H3
InChIKeyAWLJPTVZJWODFZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.54
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine

1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 16780971) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID16780971
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CC(N)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C14H21F2N3O/c1-18-6-8-19(9-7-18)10-12(17)11-4-2-3-5-13(11)20-14(15)16/h2-5,12,14H,6-10,17H2,1H3
InChIKeyAWLJPTVZJWODFZ-UHFFFAOYSA-N
XLogP1.54
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
(1R)-1-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171211394
2-(4,4-diethylpiperidin-1-yl)-1-(2-methoxyphenyl)ethanamine
CID 63160864
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
CID 43211843
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile
CID 82089920

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine (CID 16780971) is 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(CC(N)c2ccccc2OC(F)F)CC1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is AWLJPTVZJWODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-18-6-8-19(9-7-18)10-12(17)11-4-2-3-5-13(11)20-14(15)16/h2-5,12,14H,6-10,17H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 285.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 16780971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).