5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H25F2N3O — CID 22082970

IUPAC5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCNC1CCc2c(OC(F)F)ccc(N3CCN(C)CC3)c2C1
InChIInChI=1S/C17H25F2N3O/c1-20-12-3-4-13-14(11-12)15(5-6-16(13)23-17(18)19)22-9-7-21(2)8-10-22/h5-6,12,17,20H,3-4,7-11H2,1-2H3
InChIKeyHDMJISAXSCITPD-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.12
Rot. Bonds4

About 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 22082970) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID22082970
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC Name5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCNC1CCc2c(OC(F)F)ccc(N3CCN(C)CC3)c2C1
InChIInChI=1S/C17H25F2N3O/c1-20-12-3-4-13-14(11-12)15(5-6-16(13)23-17(18)19)22-9-7-21(2)8-10-22/h5-6,12,17,20H,3-4,7-11H2,1-2H3
InChIKeyHDMJISAXSCITPD-UHFFFAOYSA-N
XLogP2.12
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 22082970) is 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is CNC1CCc2c(OC(F)F)ccc(N3CCN(C)CC3)c2C1.
What is the InChIKey of 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HDMJISAXSCITPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O/c1-20-12-3-4-13-14(11-12)15(5-6-16(13)23-17(18)19)22-9-7-21(2)8-10-22/h5-6,12,17,20H,3-4,7-11H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 325.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 22082970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).