3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine

C13H21NO2 — CID 117320551

IUPAC3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine
SMILESCOCc1ccc(C(C)CCN)cc1OC
InChIInChI=1S/C13H21NO2/c1-10(6-7-14)11-4-5-12(9-15-2)13(8-11)16-3/h4-5,8,10H,6-7,9,14H2,1-3H3
InChIKeyFRYFHNMZUWJCCQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.29
Rot. Bonds6

About 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine

3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine (PubChem CID 117320551) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine
PubChem CID117320551
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine
SMILESCOCc1ccc(C(C)CCN)cc1OC
InChIInChI=1S/C13H21NO2/c1-10(6-7-14)11-4-5-12(9-15-2)13(8-11)16-3/h4-5,8,10H,6-7,9,14H2,1-3H3
InChIKeyFRYFHNMZUWJCCQ-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine
CID 117386595
3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine
CID 117415717
3-(3-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 117327114
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
3-(3,4-dimethoxy-5-phenylphenyl)butan-1-amine
CID 82542986
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]butan-1-amine
CID 117448375
3-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]butan-1-amine
CID 117482439
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
3-[4-methoxy-3-(2,3,4-trifluorophenyl)phenyl]butan-1-amine
CID 110447577

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine?
The IUPAC name of 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine (CID 117320551) is 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine is COCc1ccc(C(C)CCN)cc1OC.
What is the InChIKey of 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine?
The InChIKey is FRYFHNMZUWJCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(6-7-14)11-4-5-12(9-15-2)13(8-11)16-3/h4-5,8,10H,6-7,9,14H2,1-3H3.
What are the key properties of 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine?
3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine is sourced from PubChem (CID 117320551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).