1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine

C16H25NO3 — CID 60906681

IUPAC1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CCCO2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-3-13(17)9-12-6-7-15(16(10-12)18-2)20-11-14-5-4-8-19-14/h6-7,10,13-14H,3-5,8-9,11,17H2,1-2H3
InChIKeyHFGONXVDRZUVRD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds7

About 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine

1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine (PubChem CID 60906681) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
PubChem CID60906681
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CCCO2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-3-13(17)9-12-6-7-15(16(10-12)18-2)20-11-14-5-4-8-19-14/h6-7,10,13-14H,3-5,8-9,11,17H2,1-2H3
InChIKeyHFGONXVDRZUVRD-UHFFFAOYSA-N
XLogP2.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
1-[3-methoxy-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136595
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 60908110
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine
CID 118252120

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine (CID 60906681) is 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1ccc(OCC2CCCO2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is HFGONXVDRZUVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-13(17)9-12-6-7-15(16(10-12)18-2)20-11-14-5-4-8-19-14/h6-7,10,13-14H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine?
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60906681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).