2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol

C18H30N2O — CID 102631590

IUPAC2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol
SMILESCCC(N)C(c1ccc(C)cc1)N(C)C1CCCCC1O
InChIInChI=1S/C18H30N2O/c1-4-15(19)18(14-11-9-13(2)10-12-14)20(3)16-7-5-6-8-17(16)21/h9-12,15-18,21H,4-8,19H2,1-3H3
InChIKeyPNDNSSBYCMLOKU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.01
Rot. Bonds5

About 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol

2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol (PubChem CID 102631590) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol
PubChem CID102631590
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol
SMILESCCC(N)C(c1ccc(C)cc1)N(C)C1CCCCC1O
InChIInChI=1S/C18H30N2O/c1-4-15(19)18(14-11-9-13(2)10-12-14)20(3)16-7-5-6-8-17(16)21/h9-12,15-18,21H,4-8,19H2,1-3H3
InChIKeyPNDNSSBYCMLOKU-UHFFFAOYSA-N
XLogP3.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol (CID 102631590) is 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol is CCC(N)C(c1ccc(C)cc1)N(C)C1CCCCC1O.
What is the InChIKey of 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol?
The InChIKey is PNDNSSBYCMLOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-15(19)18(14-11-9-13(2)10-12-14)20(3)16-7-5-6-8-17(16)21/h9-12,15-18,21H,4-8,19H2,1-3H3.
What are the key properties of 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol?
2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).