3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine

C16H23FN2O2 — CID 142632744

IUPAC3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine
SMILESCOc1ccc(OCF)cc1CNC1C2CCC(C2)C1N
InChIInChI=1S/C16H23FN2O2/c1-20-14-5-4-13(21-9-17)7-12(14)8-19-16-11-3-2-10(6-11)15(16)18/h4-5,7,10-11,15-16,19H,2-3,6,8-9,18H2,1H3
InChIKeyPLEOKEUMIXQFKL-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.22
Rot. Bonds6

About 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine

3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine (PubChem CID 142632744) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine.

Molecular Properties

Compound Name3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine
PubChem CID142632744
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine
SMILESCOc1ccc(OCF)cc1CNC1C2CCC(C2)C1N
InChIInChI=1S/C16H23FN2O2/c1-20-14-5-4-13(21-9-17)7-12(14)8-19-16-11-3-2-10(6-11)15(16)18/h4-5,7,10-11,15-16,19H,2-3,6,8-9,18H2,1H3
InChIKeyPLEOKEUMIXQFKL-UHFFFAOYSA-N
XLogP2.22
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine 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

N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine
CID 139699820
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
CID 18982919
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-8-methyl-3-phenyl-2-azabicyclo[3.3.1]nonan-4-amine
CID 18982909
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
N-[(2,5-dimethoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924086
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 58035512

Frequently Asked Questions

What is the IUPAC name of 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine?
The IUPAC name of 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine (CID 142632744) is 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine.
What is the SMILES notation for 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine?
The canonical SMILES for 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine is COc1ccc(OCF)cc1CNC1C2CCC(C2)C1N.
What is the InChIKey of 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine?
The InChIKey is PLEOKEUMIXQFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-20-14-5-4-13(21-9-17)7-12(14)8-19-16-11-3-2-10(6-11)15(16)18/h4-5,7,10-11,15-16,19H,2-3,6,8-9,18H2,1H3.
What are the key properties of 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine?
3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine has a molecular weight of 294.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine is sourced from PubChem (CID 142632744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).