4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol

C11H18N2O2 — CID 171200731

IUPAC4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1[C@H](N)CCCN
InChIInChI=1S/C11H18N2O2/c1-15-11-7-8(14)4-5-9(11)10(13)3-2-6-12/h4-5,7,10,14H,2-3,6,12-13H2,1H3/t10-/m1/s1
InChIKeyNYQAHOBKVSDNGJ-SNVBAGLBSA-N
MW210.28 g/mol
LogP1.14
Rot. Bonds5

About 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol

4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol (PubChem CID 171200731) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol
PubChem CID171200731
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1[C@H](N)CCCN
InChIInChI=1S/C11H18N2O2/c1-15-11-7-8(14)4-5-9(11)10(13)3-2-6-12/h4-5,7,10,14H,2-3,6,12-13H2,1H3/t10-/m1/s1
InChIKeyNYQAHOBKVSDNGJ-SNVBAGLBSA-N
XLogP1.14
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
(1S)-1-(4-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224881
4-[(1S)-1-amino-3-methylbut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171220305
4-[(1R)-1-amino-3-methylbut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171200767
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
4-[(1R)-1,4-diaminobutyl]-2,6-dimethoxyphenol
CID 171199771
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol?
The IUPAC name of 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol (CID 171200731) is 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol.
What is the SMILES notation for 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol?
The canonical SMILES for 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol is COc1cc(O)ccc1[C@H](N)CCCN.
What is the InChIKey of 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol?
The InChIKey is NYQAHOBKVSDNGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-11-7-8(14)4-5-9(11)10(13)3-2-6-12/h4-5,7,10,14H,2-3,6,12-13H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol?
4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol has a molecular weight of 210.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol is sourced from PubChem (CID 171200731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).