3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine

C14H23NO3 — CID 117386595

IUPAC3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine
SMILESCOCc1cc(OC)cc(OC)c1C(C)CCN
InChIInChI=1S/C14H23NO3/c1-10(5-6-15)14-11(9-16-2)7-12(17-3)8-13(14)18-4/h7-8,10H,5-6,9,15H2,1-4H3
InChIKeyPFFIPLXEBZWJPD-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.30
Rot. Bonds7

About 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine

3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine (PubChem CID 117386595) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine
PubChem CID117386595
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine
SMILESCOCc1cc(OC)cc(OC)c1C(C)CCN
InChIInChI=1S/C14H23NO3/c1-10(5-6-15)14-11(9-16-2)7-12(17-3)8-13(14)18-4/h7-8,10H,5-6,9,15H2,1-4H3
InChIKeyPFFIPLXEBZWJPD-UHFFFAOYSA-N
XLogP2.30
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine
CID 117320551
3-amino-3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanoic acid
CID 117426323
[2,4-dimethoxy-6-(methoxymethyl)phenyl]methanamine
CID 117301737
3-(2-bromo-6-methoxy-4-methylphenyl)butan-1-amine
CID 84809713
3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
CID 84795108
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
2-[(1S)-1,5-diaminopentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226651
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
2-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207100
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine?
The IUPAC name of 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine (CID 117386595) is 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine is COCc1cc(OC)cc(OC)c1C(C)CCN.
What is the InChIKey of 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine?
The InChIKey is PFFIPLXEBZWJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(5-6-15)14-11(9-16-2)7-12(17-3)8-13(14)18-4/h7-8,10H,5-6,9,15H2,1-4H3.
What are the key properties of 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine?
3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine is sourced from PubChem (CID 117386595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).