3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine

C16H25NO2 — CID 117413737

IUPAC3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
SMILESCOc1ccc(C2CCOCC2)cc1C(C)CCN
InChIInChI=1S/C16H25NO2/c1-12(5-8-17)15-11-14(3-4-16(15)18-2)13-6-9-19-10-7-13/h3-4,11-13H,5-10,17H2,1-2H3
InChIKeyQQRJREMFAJOCOQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.04
Rot. Bonds5

About 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine

3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine (PubChem CID 117413737) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
PubChem CID117413737
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
SMILESCOc1ccc(C2CCOCC2)cc1C(C)CCN
InChIInChI=1S/C16H25NO2/c1-12(5-8-17)15-11-14(3-4-16(15)18-2)13-6-9-19-10-7-13/h3-4,11-13H,5-10,17H2,1-2H3
InChIKeyQQRJREMFAJOCOQ-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
CID 117381624
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117415323
3-amino-3-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117447910
3-(2-methoxy-5-morpholin-4-ylphenyl)butan-1-amine
CID 117415712
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
2-(5-cyclopentyl-2-methoxyphenyl)propan-1-ol
CID 117341035
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
CID 117379181
1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117408208
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
3-(3-cyclohexyl-4-methoxyphenyl)butan-1-amine
CID 117408772

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine?
The IUPAC name of 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine (CID 117413737) is 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine?
The canonical SMILES for 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine is COc1ccc(C2CCOCC2)cc1C(C)CCN.
What is the InChIKey of 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine?
The InChIKey is QQRJREMFAJOCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(5-8-17)15-11-14(3-4-16(15)18-2)13-6-9-19-10-7-13/h3-4,11-13H,5-10,17H2,1-2H3.
What are the key properties of 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine?
3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine is sourced from PubChem (CID 117413737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).