1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C18H29NO — CID 105052789

IUPAC1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(C)cc1C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H29NO/c1-12-8-9-14(13(2)10-12)16(19-7)15-11-17(3,4)20-18(15,5)6/h8-10,15-16,19H,11H2,1-7H3
InChIKeyPKIWLWORNMYJDV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105052789) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105052789
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(C)cc1C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H29NO/c1-12-8-9-14(13(2)10-12)16(19-7)15-11-17(3,4)20-18(15,5)6/h8-10,15-16,19H,11H2,1-7H3
InChIKeyPKIWLWORNMYJDV-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110
2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052966
N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053103
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052760
1-(4-bromophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622787
N-methyl-1-(6-methyl-3-pyridinyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189233
N-methyl-1-(4-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053060
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105066147
(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 106790557
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105052913

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105052789) is 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CNC(c1ccc(C)cc1C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is PKIWLWORNMYJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-8-9-14(13(2)10-12)16(19-7)15-11-17(3,4)20-18(15,5)6/h8-10,15-16,19H,11H2,1-7H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105052789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).