1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine

C18H27Cl2N — CID 63527651

IUPAC1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESCCCCC1CCC(C(N)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H27Cl2N/c1-2-3-4-13-5-8-15(9-6-13)18(21)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18H,2-6,8-9,12,21H2,1H3
InChIKeyOMIWLNQTKIPQCD-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.86
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine

1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 63527651) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID63527651
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC Name1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESCCCCC1CCC(C(N)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H27Cl2N/c1-2-3-4-13-5-8-15(9-6-13)18(21)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18H,2-6,8-9,12,21H2,1H3
InChIKeyOMIWLNQTKIPQCD-UHFFFAOYSA-N
XLogP5.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
2-(3,4-dichlorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739450
1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841569
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
CID 64729510
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 63528058
1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030638
2-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 64905184
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906
1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002012
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine (CID 63527651) is 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine is CCCCC1CCC(C(N)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is OMIWLNQTKIPQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-2-3-4-13-5-8-15(9-6-13)18(21)12-14-7-10-16(19)17(20)11-14/h7,10-11,13,15,18H,2-6,8-9,12,21H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine?
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine has a molecular weight of 328.33 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 63527651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).