4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine

C17H25Cl2N — CID 107307083

IUPAC4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H25Cl2N/c1-17(2,3)13-7-8-15(20)12(10-13)9-11-5-4-6-14(18)16(11)19/h4-6,12-13,15H,7-10,20H2,1-3H3
InChIKeyGQUNHCNEAXZZSO-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.33
Rot. Bonds2

About 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine

4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 107307083) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID107307083
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H25Cl2N/c1-17(2,3)13-7-8-15(20)12(10-13)9-11-5-4-6-14(18)16(11)19/h4-6,12-13,15H,7-10,20H2,1-3H3
InChIKeyGQUNHCNEAXZZSO-UHFFFAOYSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-5-tert-butylcyclohexyl)methyl]-2,3-dichlorobenzene
CID 107309494
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185968
4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63401399
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
CID 81013816
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
[2-[(2-bromophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011627
[4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012146
1-bromo-2-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459518
4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine
CID 62611169
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 55188245

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine (CID 107307083) is 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is GQUNHCNEAXZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-17(2,3)13-7-8-15(20)12(10-13)9-11-5-4-6-14(18)16(11)19/h4-6,12-13,15H,7-10,20H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine?
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107307083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).