N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine

C15H23NO — CID 59837374

IUPACN,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine
SMILESCc1ccc(C2(CN(C)C)CCOCC2)cc1
InChIInChI=1S/C15H23NO/c1-13-4-6-14(7-5-13)15(12-16(2)3)8-10-17-11-9-15/h4-7H,8-12H2,1-3H3
InChIKeyJLZAIDVJYYXUEI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.60
Rot. Bonds3

About N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine

N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine (PubChem CID 59837374) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine
PubChem CID59837374
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine
SMILESCc1ccc(C2(CN(C)C)CCOCC2)cc1
InChIInChI=1S/C15H23NO/c1-13-4-6-14(7-5-13)15(12-16(2)3)8-10-17-11-9-15/h4-7H,8-12H2,1-3H3
InChIKeyJLZAIDVJYYXUEI-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine (CID 59837374) is N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine is Cc1ccc(C2(CN(C)C)CCOCC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine?
The InChIKey is JLZAIDVJYYXUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-4-6-14(7-5-13)15(12-16(2)3)8-10-17-11-9-15/h4-7H,8-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine?
N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine is sourced from PubChem (CID 59837374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).