N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline

C16H23Cl2N — CID 55199009

IUPACN-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
SMILESCC(C)(C)C1CCCCC1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-16(2,3)12-6-4-5-7-14(12)19-15-9-8-11(17)10-13(15)18/h8-10,12,14,19H,4-7H2,1-3H3
InChIKeyCOBGEOCJALGGFK-UHFFFAOYSA-N
MW300.27 g/mol
LogP6.01
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline

N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline (PubChem CID 55199009) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
PubChem CID55199009
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
SMILESCC(C)(C)C1CCCCC1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-16(2,3)12-6-4-5-7-14(12)19-15-9-8-11(17)10-13(15)18/h8-10,12,14,19H,4-7H2,1-3H3
InChIKeyCOBGEOCJALGGFK-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
CID 43095755
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline
CID 43122819
N-(2-tert-butylcyclohexyl)-2-fluoro-4-methylaniline
CID 43114249
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-bromo-N-(2-tert-butylcyclohexyl)-3-chloroaniline
CID 103478310
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758056
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
CID 43095485
N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 66160658
N-(2-tert-butylcyclohexyl)-3-fluoro-2-methylaniline
CID 55191425
4-[(2-tert-butylcyclohexyl)amino]-2-chlorobenzonitrile
CID 43168410

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline (CID 55199009) is N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline is CC(C)(C)C1CCCCC1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline?
The InChIKey is COBGEOCJALGGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-16(2,3)12-6-4-5-7-14(12)19-15-9-8-11(17)10-13(15)18/h8-10,12,14,19H,4-7H2,1-3H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline?
N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline has a molecular weight of 300.27 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline is sourced from PubChem (CID 55199009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).