(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine

C17H26FNO — CID 116770564

IUPAC(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCCOC1(C(N)c2cc(C)ccc2F)CCCCCC1
InChIInChI=1S/C17H26FNO/c1-3-20-17(10-6-4-5-7-11-17)16(19)14-12-13(2)8-9-15(14)18/h8-9,12,16H,3-7,10-11,19H2,1-2H3
InChIKeyGFNWJBSGZVACGK-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.26
Rot. Bonds4

About (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine

(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 116770564) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID116770564
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCCOC1(C(N)c2cc(C)ccc2F)CCCCCC1
InChIInChI=1S/C17H26FNO/c1-3-20-17(10-6-4-5-7-11-17)16(19)14-12-13(2)8-9-15(14)18/h8-9,12,16H,3-7,10-11,19H2,1-2H3
InChIKeyGFNWJBSGZVACGK-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
1-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066959
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755265
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine (CID 116770564) is (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine is CCOC1(C(N)c2cc(C)ccc2F)CCCCCC1.
What is the InChIKey of (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is GFNWJBSGZVACGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-20-17(10-6-4-5-7-11-17)16(19)14-12-13(2)8-9-15(14)18/h8-9,12,16H,3-7,10-11,19H2,1-2H3.
What are the key properties of (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine?
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 279.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 116770564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).