N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine

C17H23F2NO — CID 63506625

IUPACN-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H23F2NO/c1-2-11-20-16(13-7-4-3-5-8-13)14-9-6-10-15(12-14)21-17(18)19/h6-7,9-10,12,16-17,20H,2-5,8,11H2,1H3
InChIKeyZHMXYAFKSSKYQU-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.83
Rot. Bonds7

About N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine

N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 63506625) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID63506625
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC NameN-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H23F2NO/c1-2-11-20-16(13-7-4-3-5-8-13)14-9-6-10-15(12-14)21-17(18)19/h6-7,9-10,12,16-17,20H,2-5,8,11H2,1H3
InChIKeyZHMXYAFKSSKYQU-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline
CID 106657376
N-[[(1E)-cycloocten-1-yl]-(3-methoxyphenyl)methyl]ethanamine
CID 106652417
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
N-[[3-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497241
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
N-[(3-chloro-4-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656180
N-[(4-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656448
N-[[(1E)-cycloocten-1-yl]-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107977973
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63733717
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine (CID 63506625) is N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine is CCCNC(C1=CCCCC1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is ZHMXYAFKSSKYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-2-11-20-16(13-7-4-3-5-8-13)14-9-6-10-15(12-14)21-17(18)19/h6-7,9-10,12,16-17,20H,2-5,8,11H2,1H3.
What are the key properties of N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine?
N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 295.37 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63506625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).