2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine

C17H26ClNO — CID 116770609

IUPAC2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
SMILESCCOC1(C(N)Cc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C17H26ClNO/c1-2-20-17(11-7-3-4-8-12-17)16(19)13-14-9-5-6-10-15(14)18/h5-6,9-10,16H,2-4,7-8,11-13,19H2,1H3
InChIKeyNQZGYNWRLXRDRE-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine

2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine (PubChem CID 116770609) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
PubChem CID116770609
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
SMILESCCOC1(C(N)Cc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C17H26ClNO/c1-2-20-17(11-7-3-4-8-12-17)16(19)13-14-9-5-6-10-15(14)18/h5-6,9-10,16H,2-4,7-8,11-13,19H2,1H3
InChIKeyNQZGYNWRLXRDRE-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
1-(1-ethoxycyclopentyl)-2-(furan-2-yl)ethanamine
CID 116761654
1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine
CID 116770604
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
1-(1-ethoxycyclopentyl)-2-quinolin-4-ylethanamine
CID 116761616
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
[2-(3-chloro-2-fluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 102868215

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine (CID 116770609) is 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine is CCOC1(C(N)Cc2ccccc2Cl)CCCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The InChIKey is NQZGYNWRLXRDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-2-20-17(11-7-3-4-8-12-17)16(19)13-14-9-5-6-10-15(14)18/h5-6,9-10,16H,2-4,7-8,11-13,19H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine?
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine is sourced from PubChem (CID 116770609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).