2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine

C17H25Cl2NO — CID 116770042

IUPAC2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)C1(OC)CCCCCC1
InChIInChI=1S/C17H25Cl2NO/c1-20-16(11-13-7-8-14(18)12-15(13)19)17(21-2)9-5-3-4-6-10-17/h7-8,12,16,20H,3-6,9-11H2,1-2H3
InChIKeyGUYOJPNOMCQJKN-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.86
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine

2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine (PubChem CID 116770042) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
PubChem CID116770042
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)C1(OC)CCCCCC1
InChIInChI=1S/C17H25Cl2NO/c1-20-16(11-13-7-8-14(18)12-15(13)19)17(21-2)9-5-3-4-6-10-17/h7-8,12,16,20H,3-6,9-11H2,1-2H3
InChIKeyGUYOJPNOMCQJKN-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloro-4-methylphenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 106871506
[2-(2-chloro-4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278127
[2-(2,4-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277164
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 114856992
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610924
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine (CID 116770042) is 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1Cl)C1(OC)CCCCCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The InChIKey is GUYOJPNOMCQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-20-16(11-13-7-8-14(18)12-15(13)19)17(21-2)9-5-3-4-6-10-17/h7-8,12,16,20H,3-6,9-11H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine has a molecular weight of 330.30 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine is sourced from PubChem (CID 116770042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).