N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine

C16H25NO2 — CID 81330427

IUPACN-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)C1CCC(C)O1
InChIInChI=1S/C16H25NO2/c1-5-17-16(15-9-6-12(3)19-15)14-8-7-13(18-4)10-11(14)2/h7-8,10,12,15-17H,5-6,9H2,1-4H3
InChIKeyVBKFWQJCOREGDZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine

N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 81330427) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID81330427
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)C1CCC(C)O1
InChIInChI=1S/C16H25NO2/c1-5-17-16(15-9-6-12(3)19-15)14-8-7-13(18-4)10-11(14)2/h7-8,10,12,15-17H,5-6,9H2,1-4H3
InChIKeyVBKFWQJCOREGDZ-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
[(2-fluoro-4-methoxyphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 103397793
N-[(1,1-dioxothian-2-yl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 104518589
N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 107515367
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
2-[chloro-(2-chloro-4-methoxyphenyl)methyl]-5-methyloxolane
CID 81326929
N-[(4-methoxy-3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 83045842
N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 65410252
N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105019030
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine (CID 81330427) is N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1ccc(OC)cc1C)C1CCC(C)O1.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is VBKFWQJCOREGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-17-16(15-9-6-12(3)19-15)14-8-7-13(18-4)10-11(14)2/h7-8,10,12,15-17H,5-6,9H2,1-4H3.
What are the key properties of N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine?
N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 81330427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).