1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine

C18H27ClFN — CID 63528053

IUPAC1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESCC(C)(C)C1CCC(C(N)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H27ClFN/c1-18(2,3)13-9-7-12(8-10-13)17(21)11-14-15(19)5-4-6-16(14)20/h4-6,12-13,17H,7-11,21H2,1-3H3
InChIKeyDXAGTTVTCGJGCF-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.20
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine

1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 63528053) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID63528053
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESCC(C)(C)C1CCC(C(N)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H27ClFN/c1-18(2,3)13-9-7-12(8-10-13)17(21)11-14-15(19)5-4-6-16(14)20/h4-6,12-13,17H,7-11,21H2,1-3H3
InChIKeyDXAGTTVTCGJGCF-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65412373
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105172197
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide;carbonic acid
CID 22076120
1-chloro-2-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63517970
4-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]oxane
CID 63016065

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 63528053) is 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine is CC(C)(C)C1CCC(C(N)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is DXAGTTVTCGJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-18(2,3)13-9-7-12(8-10-13)17(21)11-14-15(19)5-4-6-16(14)20/h4-6,12-13,17H,7-11,21H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine?
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 311.87 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 63528053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).