1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine

C18H26ClNO — CID 122503521

IUPAC1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
SMILESC=Cc1cc(C2(CN(C)C)CCCCC2OC)ccc1Cl
InChIInChI=1S/C18H26ClNO/c1-5-14-12-15(9-10-16(14)19)18(13-20(2)3)11-7-6-8-17(18)21-4/h5,9-10,12,17H,1,6-8,11,13H2,2-4H3
InChIKeyCOHZSADXPLXPAM-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.37
Rot. Bonds5

About 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine

1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine (PubChem CID 122503521) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
PubChem CID122503521
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine
SMILESC=Cc1cc(C2(CN(C)C)CCCCC2OC)ccc1Cl
InChIInChI=1S/C18H26ClNO/c1-5-14-12-15(9-10-16(14)19)18(13-20(2)3)11-7-6-8-17(18)21-4/h5,9-10,12,17H,1,6-8,11,13H2,2-4H3
InChIKeyCOHZSADXPLXPAM-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine (CID 122503521) is 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine is C=Cc1cc(C2(CN(C)C)CCCCC2OC)ccc1Cl.
What is the InChIKey of 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is COHZSADXPLXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-5-14-12-15(9-10-16(14)19)18(13-20(2)3)11-7-6-8-17(18)21-4/h5,9-10,12,17H,1,6-8,11,13H2,2-4H3.
What are the key properties of 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine?
1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 307.87 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-ethenylphenyl)-2-methoxycyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 122503521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).