2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine

C18H22FNO — CID 105047407

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1cc2cccc(F)c2o1
InChIInChI=1S/C18H22FNO/c1-20-16(9-14-8-11-5-6-12(14)7-11)17-10-13-3-2-4-15(19)18(13)21-17/h2-4,10-12,14,16,20H,5-9H2,1H3
InChIKeyPYTWHVDFRKMWLE-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.66
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 105047407) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID105047407
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)c1cc2cccc(F)c2o1
InChIInChI=1S/C18H22FNO/c1-20-16(9-14-8-11-5-6-12(14)7-11)17-10-13-3-2-4-15(19)18(13)21-17/h2-4,10-12,14,16,20H,5-9H2,1H3
InChIKeyPYTWHVDFRKMWLE-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine 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

2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 105046040
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
CID 114730776
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79562379
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 105012799
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)-N-methylethanamine
CID 105012745
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
CID 103137904
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 63502583

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine (CID 105047407) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine is CNC(CC1CC2CCC1C2)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is PYTWHVDFRKMWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-20-16(9-14-8-11-5-6-12(14)7-11)17-10-13-3-2-4-15(19)18(13)21-17/h2-4,10-12,14,16,20H,5-9H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 105047407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).