[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine

C17H26ClN — CID 81012614

IUPAC[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H26ClN/c1-17(2,3)14-7-4-13(11-19)16(10-14)12-5-8-15(18)9-6-12/h5-6,8-9,13-14,16H,4,7,10-11,19H2,1-3H3
InChIKeyBTWNBUJOGMHJGO-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.84
Rot. Bonds2

About [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine

[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine (PubChem CID 81012614) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine
PubChem CID81012614
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H26ClN/c1-17(2,3)14-7-4-13(11-19)16(10-14)12-5-8-15(18)9-6-12/h5-6,8-9,13-14,16H,4,7,10-11,19H2,1-3H3
InChIKeyBTWNBUJOGMHJGO-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine (CID 81012614) is [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine?
The InChIKey is BTWNBUJOGMHJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-17(2,3)14-7-4-13(11-19)16(10-14)12-5-8-15(18)9-6-12/h5-6,8-9,13-14,16H,4,7,10-11,19H2,1-3H3.
What are the key properties of [4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine?
[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine has a molecular weight of 279.85 g/mol, XLogP of 4.84, 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-(4-chlorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81012614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).