3-(aminomethyl)-4,5-dimethoxyphenol

C9H13NO3 — CID 117279442

IUPAC3-(aminomethyl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)cc(CN)c1OC
InChIInChI=1S/C9H13NO3/c1-12-8-4-7(11)3-6(5-10)9(8)13-2/h3-4,11H,5,10H2,1-2H3
InChIKeyJFSCSHGJWQZQIA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.87
Rot. Bonds3

About 3-(aminomethyl)-4,5-dimethoxyphenol

3-(aminomethyl)-4,5-dimethoxyphenol (PubChem CID 117279442) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(aminomethyl)-4,5-dimethoxyphenol.

Molecular Properties

Compound Name3-(aminomethyl)-4,5-dimethoxyphenol
PubChem CID117279442
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(aminomethyl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)cc(CN)c1OC
InChIInChI=1S/C9H13NO3/c1-12-8-4-7(11)3-6(5-10)9(8)13-2/h3-4,11H,5,10H2,1-2H3
InChIKeyJFSCSHGJWQZQIA-UHFFFAOYSA-N
XLogP0.87
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
(3,4,5-trimethoxy-2-methylphenyl)methanamine
CID 174928616
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
4-methoxy-3,5-bis(methylperoxy)phenol
CID 174710880
[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224806
3,5-bis(aminomethyl)-4-methoxyaniline;trihydrochloride
CID 23346960
[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 82106998
2-(aminomethyl)-4-methoxy-5-methylphenol
CID 67518615
2-[3-(aminomethyl)-4,5-dimethoxyphenyl]-4-methylaniline
CID 39224781
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,5-dimethoxyphenol?
The IUPAC name of 3-(aminomethyl)-4,5-dimethoxyphenol (CID 117279442) is 3-(aminomethyl)-4,5-dimethoxyphenol.
What is the SMILES notation for 3-(aminomethyl)-4,5-dimethoxyphenol?
The canonical SMILES for 3-(aminomethyl)-4,5-dimethoxyphenol is COc1cc(O)cc(CN)c1OC.
What is the InChIKey of 3-(aminomethyl)-4,5-dimethoxyphenol?
The InChIKey is JFSCSHGJWQZQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-8-4-7(11)3-6(5-10)9(8)13-2/h3-4,11H,5,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4,5-dimethoxyphenol?
3-(aminomethyl)-4,5-dimethoxyphenol has a molecular weight of 183.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,5-dimethoxyphenol is sourced from PubChem (CID 117279442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).