1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine

C15H19F2NO — CID 62080331

IUPAC1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO/c1-18-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)19-15(16)17/h5,7-10,14-15,18H,2-4,6H2,1H3
InChIKeyMXSDSNFIWIOMAQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP4.05
Rot. Bonds5

About 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine

1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine (PubChem CID 62080331) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
PubChem CID62080331
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO/c1-18-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)19-15(16)17/h5,7-10,14-15,18H,2-4,6H2,1H3
InChIKeyMXSDSNFIWIOMAQ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[(1E)-cycloocten-1-yl]-[4-(difluoromethoxy)phenyl]methyl]hydrazine
CID 106650017
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(cyclopenten-1-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 62079794
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 55034413
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484649
N-[cyclohexen-1-yl-[3-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 63506625
1-(cyclopenten-1-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62077852
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 62079581

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine (CID 62080331) is 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine is CNC(C1=CCCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The InChIKey is MXSDSNFIWIOMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-18-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)19-15(16)17/h5,7-10,14-15,18H,2-4,6H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine has a molecular weight of 267.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62080331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).