1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

C18H28FNO — CID 116770881

IUPAC1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccc(F)c(C)c2)CCCCCC1
InChIInChI=1S/C18H28FNO/c1-4-21-18(11-7-5-6-8-12-18)17(20-3)15-9-10-16(19)14(2)13-15/h9-10,13,17,20H,4-8,11-12H2,1-3H3
InChIKeyCPLYHKBYHRDHPJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.52
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 116770881) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID116770881
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccc(F)c(C)c2)CCCCCC1
InChIInChI=1S/C18H28FNO/c1-4-21-18(11-7-5-6-8-12-18)17(20-3)15-9-10-16(19)14(2)13-15/h9-10,13,17,20H,4-8,11-12H2,1-3H3
InChIKeyCPLYHKBYHRDHPJ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611026
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
[(1-ethoxycyclohexyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130905
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765724
[(3,4-difluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275720
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (CID 116770881) is 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is CCOC1(C(NC)c2ccc(F)c(C)c2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is CPLYHKBYHRDHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-21-18(11-7-5-6-8-12-18)17(20-3)15-9-10-16(19)14(2)13-15/h9-10,13,17,20H,4-8,11-12H2,1-3H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.52, 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-(4-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116770881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).