N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine

C17H27NO — CID 79368719

IUPACN-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-18-12-14-10-11-19-16(14)13-6-8-15(9-7-13)17(2,3)4/h6-9,14,16,18H,5,10-12H2,1-4H3
InChIKeyLYJYHIZULGWGNG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds4

About N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine

N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 79368719) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine
PubChem CID79368719
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-18-12-14-10-11-19-16(14)13-6-8-15(9-7-13)17(2,3)4/h6-9,14,16,18H,5,10-12H2,1-4H3
InChIKeyLYJYHIZULGWGNG-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(4-tert-butylphenyl)oxolan-3-yl]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-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368622
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
CID 79368430
N-[[2-(3-bromophenyl)oxolan-3-yl]methyl]ethanamine
CID 79368720
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
CID 79370301
N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 83241190
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79978075
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79367591
N-[[2-[4-(trifluoromethylsulfanyl)phenyl]oxan-3-yl]methyl]ethanamine
CID 79370705
N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368429
N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine
CID 105379792
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79367501
N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 79367958

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine (CID 79368719) is N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine is CCNCC1CCOC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is LYJYHIZULGWGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-12-14-10-11-19-16(14)13-6-8-15(9-7-13)17(2,3)4/h6-9,14,16,18H,5,10-12H2,1-4H3.
What are the key properties of N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine?
N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79368719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).