4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol

C15H20N2OS — CID 66387165

IUPAC4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1sccc1N
InChIInChI=1S/C15H20N2OS/c1-11(17-10-15-14(16)8-9-19-15)2-3-12-4-6-13(18)7-5-12/h4-9,11,17-18H,2-3,10,16H2,1H3
InChIKeyIEERGLAZTRAIRV-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.15
Rot. Bonds6

About 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol

4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol (PubChem CID 66387165) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol
PubChem CID66387165
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1sccc1N
InChIInChI=1S/C15H20N2OS/c1-11(17-10-15-14(16)8-9-19-15)2-3-12-4-6-13(18)7-5-12/h4-9,11,17-18H,2-3,10,16H2,1H3
InChIKeyIEERGLAZTRAIRV-UHFFFAOYSA-N
XLogP3.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(hexan-2-ylamino)methyl]thiophen-3-amine
CID 66385998
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
CID 43746698
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol
CID 104862215
ethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]acetate
CID 60811877

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol (CID 66387165) is 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCc1sccc1N.
What is the InChIKey of 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol?
The InChIKey is IEERGLAZTRAIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(17-10-15-14(16)8-9-19-15)2-3-12-4-6-13(18)7-5-12/h4-9,11,17-18H,2-3,10,16H2,1H3.
What are the key properties of 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol?
4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol has a molecular weight of 276.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol is sourced from PubChem (CID 66387165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).