N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine

C17H27NO — CID 43490967

IUPACN-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)cc(C)c1C)C1CCCO1
InChIInChI=1S/C17H27NO/c1-6-18-17(15-8-7-9-19-15)16-13(4)11(2)10-12(3)14(16)5/h10,15,17-18H,6-9H2,1-5H3
InChIKeyRQKOVVQIEXKRIQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds4

About N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine

N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine (PubChem CID 43490967) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
PubChem CID43490967
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)cc(C)c1C)C1CCCO1
InChIInChI=1S/C17H27NO/c1-6-18-17(15-8-7-9-19-15)16-13(4)11(2)10-12(3)14(16)5/h10,15,17-18H,6-9H2,1-5H3
InChIKeyRQKOVVQIEXKRIQ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
CID 106682226
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304
oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methanol
CID 61086801
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 103433591
N-[(3-bromo-5-methylthiophen-2-yl)-(oxolan-2-yl)methyl]ethanamine
CID 65279468
N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62213881
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(2-ethyl-1-benzofuran-3-yl)-(oxolan-2-yl)methyl]ethanamine
CID 62955578

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The IUPAC name of N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine (CID 43490967) is N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine is CCNC(c1c(C)c(C)cc(C)c1C)C1CCCO1.
What is the InChIKey of N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The InChIKey is RQKOVVQIEXKRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-18-17(15-8-7-9-19-15)16-13(4)11(2)10-12(3)14(16)5/h10,15,17-18H,6-9H2,1-5H3.
What are the key properties of N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43490967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).