4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine

C17H26ClNO — CID 81014747

IUPAC4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(Cl)cc1C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C17H26ClNO/c1-17(2,3)11-5-7-15(19)13(9-11)14-10-12(18)6-8-16(14)20-4/h6,8,10-11,13,15H,5,7,9,19H2,1-4H3
InChIKeyYZGFFMPFVMKBKF-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.61
Rot. Bonds2

About 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine

4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine (PubChem CID 81014747) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine
PubChem CID81014747
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(Cl)cc1C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C17H26ClNO/c1-17(2,3)11-5-7-15(19)13(9-11)14-10-12(18)6-8-16(14)20-4/h6,8,10-11,13,15H,5,7,9,19H2,1-4H3
InChIKeyYZGFFMPFVMKBKF-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine (CID 81014747) is 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine is COc1ccc(Cl)cc1C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is YZGFFMPFVMKBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-17(2,3)11-5-7-15(19)13(9-11)14-10-12(18)6-8-16(14)20-4/h6,8,10-11,13,15H,5,7,9,19H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine?
4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(5-chloro-2-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 81014747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).