2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine

C18H28ClNO — CID 106868865

IUPAC2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(C)cc2Cl)CCCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-21-18(10-6-4-5-7-11-18)17(20)13-15-9-8-14(2)12-16(15)19/h8-9,12,17H,3-7,10-11,13,20H2,1-2H3
InChIKeyOKNFPFXHBNBVEL-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.65
Rot. Bonds5

About 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine (PubChem CID 106868865) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
PubChem CID106868865
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(C)cc2Cl)CCCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-21-18(10-6-4-5-7-11-18)17(20)13-15-9-8-14(2)12-16(15)19/h8-9,12,17H,3-7,10-11,13,20H2,1-2H3
InChIKeyOKNFPFXHBNBVEL-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
[2-(2-chloro-4-methylphenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 106871506
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
2-(2-chloro-4-methylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 106868855
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 106867637
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine (CID 106868865) is 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine is CCOC1(C(N)Cc2ccc(C)cc2Cl)CCCCCC1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine?
The InChIKey is OKNFPFXHBNBVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-21-18(10-6-4-5-7-11-18)17(20)13-15-9-8-14(2)12-16(15)19/h8-9,12,17H,3-7,10-11,13,20H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine is sourced from PubChem (CID 106868865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).