2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine

C17H25Cl2N — CID 63408216

IUPAC2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H25Cl2N/c1-16(2,3)15-6-4-5-9-17(15,20)11-12-7-8-13(18)10-14(12)19/h7-8,10,15H,4-6,9,11,20H2,1-3H3
InChIKeyRDOSLXMTQWJJSR-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.47
Rot. Bonds2

About 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine

2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 63408216) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID63408216
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H25Cl2N/c1-16(2,3)15-6-4-5-9-17(15,20)11-12-7-8-13(18)10-14(12)19/h7-8,10,15H,4-6,9,11,20H2,1-3H3
InChIKeyRDOSLXMTQWJJSR-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine
CID 66468111
2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 104793292
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 70921617
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine (CID 63408216) is 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine is CC(C)(C)C1CCCCC1(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is RDOSLXMTQWJJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-16(2,3)15-6-4-5-9-17(15,20)11-12-7-8-13(18)10-14(12)19/h7-8,10,15H,4-6,9,11,20H2,1-3H3.
What are the key properties of 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63408216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).