3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol

C14H17NO2 — CID 170875213

IUPAC3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol
SMILESCc1ccc(-c2ccc(C(N)CCO)cc2)o1
InChIInChI=1S/C14H17NO2/c1-10-2-7-14(17-10)12-5-3-11(4-6-12)13(15)8-9-16/h2-7,13,16H,8-9,15H2,1H3
InChIKeyYHGVEFUAFSWXLJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.64
Rot. Bonds4

About 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol

3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol (PubChem CID 170875213) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol
PubChem CID170875213
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol
SMILESCc1ccc(-c2ccc(C(N)CCO)cc2)o1
InChIInChI=1S/C14H17NO2/c1-10-2-7-14(17-10)12-5-3-11(4-6-12)13(15)8-9-16/h2-7,13,16H,8-9,15H2,1H3
InChIKeyYHGVEFUAFSWXLJ-UHFFFAOYSA-N
XLogP2.64
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol 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

3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
4-(5-methylfuran-2-yl)aniline;hydrochloride
CID 2859134
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851
(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 171231171
3-amino-3-[5-(4-nitrophenyl)furan-2-yl]propan-1-ol;hydrochloride
CID 170874778
3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol
CID 170875139
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol (CID 170875213) is 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol is Cc1ccc(-c2ccc(C(N)CCO)cc2)o1.
What is the InChIKey of 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol?
The InChIKey is YHGVEFUAFSWXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-2-7-14(17-10)12-5-3-11(4-6-12)13(15)8-9-16/h2-7,13,16H,8-9,15H2,1H3.
What are the key properties of 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol?
3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol has a molecular weight of 231.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 170875213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).