N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine

C18H27Cl2N — CID 82923870

IUPACN-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(c1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C18H27Cl2N/c1-18(2,3)21-12-16(13-7-5-4-6-8-13)15-10-9-14(19)11-17(15)20/h9-11,13,16,21H,4-8,12H2,1-3H3
InChIKeyBRIOZMYVJFVLSW-UHFFFAOYSA-N
MW328.33 g/mol
LogP6.05
Rot. Bonds4

About N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine

N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 82923870) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine
PubChem CID82923870
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC NameN-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(c1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C18H27Cl2N/c1-18(2,3)21-12-16(13-7-5-4-6-8-13)15-10-9-14(19)11-17(15)20/h9-11,13,16,21H,4-8,12H2,1-3H3
InChIKeyBRIOZMYVJFVLSW-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 82936894
N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
CID 82936979
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-2-amine
CID 82933829
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
CID 65021234
[cyclohexyl-(2,4-dichlorophenyl)methyl]hydrazine
CID 105282000
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol
CID 65185302
3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol
CID 65185454
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine (CID 82923870) is N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(c1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is BRIOZMYVJFVLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-18(2,3)21-12-16(13-7-5-4-6-8-13)15-10-9-14(19)11-17(15)20/h9-11,13,16,21H,4-8,12H2,1-3H3.
What are the key properties of N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine?
N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 328.33 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82923870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).