N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine

C19H31NO — CID 63474175

IUPACN-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC)C(Oc2cccc(C)c2)C1
InChIInChI=1S/C19H31NO/c1-6-19(3,4)15-10-11-17(20-5)18(13-15)21-16-9-7-8-14(2)12-16/h7-9,12,15,17-18,20H,6,10-11,13H2,1-5H3
InChIKeyZDDIULDKOVTRNR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.57
Rot. Bonds5

About N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine

N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine (PubChem CID 63474175) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine
PubChem CID63474175
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC)C(Oc2cccc(C)c2)C1
InChIInChI=1S/C19H31NO/c1-6-19(3,4)15-10-11-17(20-5)18(13-15)21-16-9-7-8-14(2)12-16/h7-9,12,15,17-18,20H,6,10-11,13H2,1-5H3
InChIKeyZDDIULDKOVTRNR-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine (CID 63474175) is N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine is CCC(C)(C)C1CCC(NC)C(Oc2cccc(C)c2)C1.
What is the InChIKey of N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine?
The InChIKey is ZDDIULDKOVTRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-19(3,4)15-10-11-17(20-5)18(13-15)21-16-9-7-8-14(2)12-16/h7-9,12,15,17-18,20H,6,10-11,13H2,1-5H3.
What are the key properties of N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine?
N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 63474175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).