2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine

C17H25Cl2NO — CID 107309137

IUPAC2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
SMILESCCOC1(C(N)Cc2cccc(Cl)c2Cl)CCCCCC1
InChIInChI=1S/C17H25Cl2NO/c1-2-21-17(10-5-3-4-6-11-17)15(20)12-13-8-7-9-14(18)16(13)19/h7-9,15H,2-6,10-12,20H2,1H3
InChIKeyYPADGULTDWJUTD-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.99
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine

2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine (PubChem CID 107309137) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
PubChem CID107309137
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
SMILESCCOC1(C(N)Cc2cccc(Cl)c2Cl)CCCCCC1
InChIInChI=1S/C17H25Cl2NO/c1-2-21-17(10-5-3-4-6-11-17)15(20)12-13-8-7-9-14(18)16(13)19/h7-9,15H,2-6,10-12,20H2,1H3
InChIKeyYPADGULTDWJUTD-UHFFFAOYSA-N
XLogP4.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
[2-(3-chloro-2-fluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 102868215
1-(1-ethoxycyclopentyl)-2-(furan-2-yl)ethanamine
CID 116761654
[2-(2,3-dichlorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 107312778
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine (CID 107309137) is 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine is CCOC1(C(N)Cc2cccc(Cl)c2Cl)CCCCCC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The InChIKey is YPADGULTDWJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-2-21-17(10-5-3-4-6-11-17)15(20)12-13-8-7-9-14(18)16(13)19/h7-9,15H,2-6,10-12,20H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine?
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine has a molecular weight of 330.30 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine is sourced from PubChem (CID 107309137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).