N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine

C17H26FNO — CID 63932831

IUPACN-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine
SMILESCCNCC1(OCc2ccccc2F)CCCCCC1
InChIInChI=1S/C17H26FNO/c1-2-19-14-17(11-7-3-4-8-12-17)20-13-15-9-5-6-10-16(15)18/h5-6,9-10,19H,2-4,7-8,11-14H2,1H3
InChIKeyBZVFCWSZOURQLA-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.04
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine

N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine (PubChem CID 63932831) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine
PubChem CID63932831
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine
SMILESCCNCC1(OCc2ccccc2F)CCCCCC1
InChIInChI=1S/C17H26FNO/c1-2-19-14-17(11-7-3-4-8-12-17)20-13-15-9-5-6-10-16(15)18/h5-6,9-10,19H,2-4,7-8,11-14H2,1H3
InChIKeyBZVFCWSZOURQLA-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine 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

1-[1-[(2-fluorophenyl)methoxy]cyclopentyl]-N-methylmethanamine
CID 63934468
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine
CID 63934652
[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626
N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182
1-[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]-N-methylmethanamine
CID 63934456
N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
CID 62105997
N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
CID 63934062
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 82831812
[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 63932832
N-[[1-[(3-chlorophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 65124397
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine (CID 63932831) is N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine is CCNCC1(OCc2ccccc2F)CCCCCC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine?
The InChIKey is BZVFCWSZOURQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-19-14-17(11-7-3-4-8-12-17)20-13-15-9-5-6-10-16(15)18/h5-6,9-10,19H,2-4,7-8,11-14H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine?
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 63932831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).