N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine

C15H23NO — CID 113354158

IUPACN-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine
SMILESCCc1ccc(NC2CCOC(C)C2)cc1C
InChIInChI=1S/C15H23NO/c1-4-13-5-6-14(9-11(13)2)16-15-7-8-17-12(3)10-15/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3
InChIKeyNTCOHRFCXMCSRD-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.54
Rot. Bonds3

About N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine

N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine (PubChem CID 113354158) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine
PubChem CID113354158
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine
SMILESCCc1ccc(NC2CCOC(C)C2)cc1C
InChIInChI=1S/C15H23NO/c1-4-13-5-6-14(9-11(13)2)16-15-7-8-17-12(3)10-15/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3
InChIKeyNTCOHRFCXMCSRD-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine?
The IUPAC name of N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine (CID 113354158) is N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine?
The canonical SMILES for N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine is CCc1ccc(NC2CCOC(C)C2)cc1C.
What is the InChIKey of N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine?
The InChIKey is NTCOHRFCXMCSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-13-5-6-14(9-11(13)2)16-15-7-8-17-12(3)10-15/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3.
What are the key properties of N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine?
N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine has a molecular weight of 233.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine is sourced from PubChem (CID 113354158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).