N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine

C18H28ClNO2 — CID 66532495

IUPACN-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
SMILESCCOc1cc(CNC2CCCCCCC2)c(Cl)cc1OC
InChIInChI=1S/C18H28ClNO2/c1-3-22-18-11-14(16(19)12-17(18)21-2)13-20-15-9-7-5-4-6-8-10-15/h11-12,15,20H,3-10,13H2,1-2H3
InChIKeyYOERGUYMGSYFFG-UHFFFAOYSA-N
MW325.88 g/mol
LogP4.95
Rot. Bonds6

About N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine

N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine (PubChem CID 66532495) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
PubChem CID66532495
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC NameN-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
SMILESCCOc1cc(CNC2CCCCCCC2)c(Cl)cc1OC
InChIInChI=1S/C18H28ClNO2/c1-3-22-18-11-14(16(19)12-17(18)21-2)13-20-15-9-7-5-4-6-8-10-15/h11-12,15,20H,3-10,13H2,1-2H3
InChIKeyYOERGUYMGSYFFG-UHFFFAOYSA-N
XLogP4.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]cycloheptanamine
CID 66532216
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]cycloheptanamine
CID 66530918
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclooctanamine
CID 66529406
N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 59494193
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 66529378
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopropanamine
CID 66531821
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopropanamine
CID 66532073
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
CID 66535507

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine?
The IUPAC name of N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine (CID 66532495) is N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine?
The canonical SMILES for N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine is CCOc1cc(CNC2CCCCCCC2)c(Cl)cc1OC.
What is the InChIKey of N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine?
The InChIKey is YOERGUYMGSYFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO2/c1-3-22-18-11-14(16(19)12-17(18)21-2)13-20-15-9-7-5-4-6-8-10-15/h11-12,15,20H,3-10,13H2,1-2H3.
What are the key properties of N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine?
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine has a molecular weight of 325.88 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine is sourced from PubChem (CID 66532495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).