1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine

C16H25NO2 — CID 104993086

IUPAC1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCOc1ccc(C)cc1C(N)CCCC1CCCO1
InChIInChI=1S/C16H25NO2/c1-12-8-9-16(18-2)14(11-12)15(17)7-3-5-13-6-4-10-19-13/h8-9,11,13,15H,3-7,10,17H2,1-2H3
InChIKeyIJVKYAAOJUOWQA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.35
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine

1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 104993086) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID104993086
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCOc1ccc(C)cc1C(N)CCCC1CCCO1
InChIInChI=1S/C16H25NO2/c1-12-8-9-16(18-2)14(11-12)15(17)7-3-5-13-6-4-10-19-13/h8-9,11,13,15H,3-7,10,17H2,1-2H3
InChIKeyIJVKYAAOJUOWQA-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993214
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
1-[4-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 65158556
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (CID 104993086) is 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is COc1ccc(C)cc1C(N)CCCC1CCCO1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is IJVKYAAOJUOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-9-16(18-2)14(11-12)15(17)7-3-5-13-6-4-10-19-13/h8-9,11,13,15H,3-7,10,17H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104993086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).