N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine

C23H29ClFNO2 — CID 17056803

IUPACN-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine
SMILESCOc1cccc(CNC2CCCCCCC2)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C23H29ClFNO2/c1-27-22-11-7-8-17(15-26-20-9-5-3-2-4-6-10-20)23(22)28-16-18-12-13-19(25)14-21(18)24/h7-8,11-14,20,26H,2-6,9-10,15-16H2,1H3
InChIKeyGENAQBKNBVHCRL-UHFFFAOYSA-N
MW405.94 g/mol
LogP6.27
Rot. Bonds7

About N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine

N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine (PubChem CID 17056803) has the molecular formula C23H29ClFNO2 and a molecular weight of 405.94 g/mol. Its IUPAC name is N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine
PubChem CID17056803
Molecular FormulaC23H29ClFNO2
Molecular Weight405.94 g/mol
Exact Mass405.19
IUPAC NameN-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine
SMILESCOc1cccc(CNC2CCCCCCC2)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C23H29ClFNO2/c1-27-22-11-7-8-17(15-26-20-9-5-3-2-4-6-10-20)23(22)28-16-18-12-13-19(25)14-21(18)24/h7-8,11-14,20,26H,2-6,9-10,15-16H2,1H3
InChIKeyGENAQBKNBVHCRL-UHFFFAOYSA-N
XLogP6.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.94
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine with MolForge

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine;hydrochloride
CID 17331509
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
1-benzyl-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159436
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 66534939
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29187873
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 66534816
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17056749
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine?
The IUPAC name of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine (CID 17056803) is N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine.
What is the SMILES notation for N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine?
The canonical SMILES for N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine is COc1cccc(CNC2CCCCCCC2)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine?
The InChIKey is GENAQBKNBVHCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFNO2/c1-27-22-11-7-8-17(15-26-20-9-5-3-2-4-6-10-20)23(22)28-16-18-12-13-19(25)14-21(18)24/h7-8,11-14,20,26H,2-6,9-10,15-16H2,1H3.
What are the key properties of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine?
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine has a molecular weight of 405.94 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine is sourced from PubChem (CID 17056803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).