1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine

C19H31NO — CID 63509253

IUPAC1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1C(C)C)C1CCCCO1
InChIInChI=1S/C19H31NO/c1-13(2)15-9-10-16(17(12-15)14(3)4)19(20-5)18-8-6-7-11-21-18/h9-10,12-14,18-20H,6-8,11H2,1-5H3
InChIKeyRPHYPDHLJKWTLR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.76
Rot. Bonds5

About 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine

1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 63509253) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID63509253
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1C(C)C)C1CCCCO1
InChIInChI=1S/C19H31NO/c1-13(2)15-9-10-16(17(12-15)14(3)4)19(20-5)18-8-6-7-11-21-18/h9-10,12-14,18-20H,6-8,11H2,1-5H3
InChIKeyRPHYPDHLJKWTLR-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 63509253) is 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine is CNC(c1ccc(C(C)C)cc1C(C)C)C1CCCCO1.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is RPHYPDHLJKWTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)15-9-10-16(17(12-15)14(3)4)19(20-5)18-8-6-7-11-21-18/h9-10,12-14,18-20H,6-8,11H2,1-5H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine?
1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 63509253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).