1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine

C17H26FNO — CID 116770913

IUPAC1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccccc2F)CCCCCC1
InChIInChI=1S/C17H26FNO/c1-3-20-17(12-8-4-5-9-13-17)16(19-2)14-10-6-7-11-15(14)18/h6-7,10-11,16,19H,3-5,8-9,12-13H2,1-2H3
InChIKeyBKGPNWNBIZNWHD-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.22
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine

1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine (PubChem CID 116770913) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
PubChem CID116770913
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccccc2F)CCCCCC1
InChIInChI=1S/C17H26FNO/c1-3-20-17(12-8-4-5-9-13-17)16(19-2)14-10-6-7-11-15(14)18/h6-7,10-11,16,19H,3-5,8-9,12-13H2,1-2H3
InChIKeyBKGPNWNBIZNWHD-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(2,3-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768338
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
[(2-fluorophenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275988
[(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276350
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine (CID 116770913) is 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine is CCOC1(C(NC)c2ccccc2F)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The InChIKey is BKGPNWNBIZNWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-20-17(12-8-4-5-9-13-17)16(19-2)14-10-6-7-11-15(14)18/h6-7,10-11,16,19H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine?
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 116770913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).