3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine

C15H24N2O2 — CID 117415717

IUPAC3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine
SMILESCOc1cc(C(C)CCN)ccc1OC1CN(C)C1
InChIInChI=1S/C15H24N2O2/c1-11(6-7-16)12-4-5-14(15(8-12)18-3)19-13-9-17(2)10-13/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3
InChIKeyMYGQZKMAQKLCJW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds6

About 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine

3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine (PubChem CID 117415717) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine.

Molecular Properties

Compound Name3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine
PubChem CID117415717
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine
SMILESCOc1cc(C(C)CCN)ccc1OC1CN(C)C1
InChIInChI=1S/C15H24N2O2/c1-11(6-7-16)12-4-5-14(15(8-12)18-3)19-13-9-17(2)10-13/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3
InChIKeyMYGQZKMAQKLCJW-UHFFFAOYSA-N
XLogP1.84
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]butan-1-amine
CID 117482439
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanal
CID 117444459
3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
CID 117415452
3-amino-2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117450025
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine?
The IUPAC name of 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine (CID 117415717) is 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine.
What is the SMILES notation for 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine?
The canonical SMILES for 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine is COc1cc(C(C)CCN)ccc1OC1CN(C)C1.
What is the InChIKey of 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine?
The InChIKey is MYGQZKMAQKLCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(6-7-16)12-4-5-14(15(8-12)18-3)19-13-9-17(2)10-13/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3.
What are the key properties of 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine?
3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine is sourced from PubChem (CID 117415717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).