N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine

C18H28FNO — CID 116771021

IUPACN-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)C1(OCC)CCCCCC1
InChIInChI=1S/C18H28FNO/c1-3-20-17(15-10-9-11-16(19)14-15)18(21-4-2)12-7-5-6-8-13-18/h9-11,14,17,20H,3-8,12-13H2,1-2H3
InChIKeyGNDKQQOIEZREHH-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.61
Rot. Bonds6

About N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine

N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 116771021) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID116771021
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)C1(OCC)CCCCCC1
InChIInChI=1S/C18H28FNO/c1-3-20-17(15-10-9-11-16(19)14-15)18(21-4-2)12-7-5-6-8-13-18/h9-11,14,17,20H,3-8,12-13H2,1-2H3
InChIKeyGNDKQQOIEZREHH-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine (CID 116771021) is N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)C1(OCC)CCCCCC1.
What is the InChIKey of N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is GNDKQQOIEZREHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-20-17(15-10-9-11-16(19)14-15)18(21-4-2)12-7-5-6-8-13-18/h9-11,14,17,20H,3-8,12-13H2,1-2H3.
What are the key properties of N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine?
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 116771021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).