4-[3-(thiophen-3-ylmethylamino)butyl]phenol

C15H19NOS — CID 43746689

IUPAC4-[3-(thiophen-3-ylmethylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1ccsc1
InChIInChI=1S/C15H19NOS/c1-12(16-10-14-8-9-18-11-14)2-3-13-4-6-15(17)7-5-13/h4-9,11-12,16-17H,2-3,10H2,1H3
InChIKeyMIOIJCLHGMBOHY-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.56
Rot. Bonds6

About 4-[3-(thiophen-3-ylmethylamino)butyl]phenol

4-[3-(thiophen-3-ylmethylamino)butyl]phenol (PubChem CID 43746689) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-[3-(thiophen-3-ylmethylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(thiophen-3-ylmethylamino)butyl]phenol
PubChem CID43746689
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name4-[3-(thiophen-3-ylmethylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1ccsc1
InChIInChI=1S/C15H19NOS/c1-12(16-10-14-8-9-18-11-14)2-3-13-4-6-15(17)7-5-13/h4-9,11-12,16-17H,2-3,10H2,1H3
InChIKeyMIOIJCLHGMBOHY-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol
CID 66387165
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
CID 43746698
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210

Frequently Asked Questions

What is the IUPAC name of 4-[3-(thiophen-3-ylmethylamino)butyl]phenol?
The IUPAC name of 4-[3-(thiophen-3-ylmethylamino)butyl]phenol (CID 43746689) is 4-[3-(thiophen-3-ylmethylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(thiophen-3-ylmethylamino)butyl]phenol?
The canonical SMILES for 4-[3-(thiophen-3-ylmethylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NCc1ccsc1.
What is the InChIKey of 4-[3-(thiophen-3-ylmethylamino)butyl]phenol?
The InChIKey is MIOIJCLHGMBOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12(16-10-14-8-9-18-11-14)2-3-13-4-6-15(17)7-5-13/h4-9,11-12,16-17H,2-3,10H2,1H3.
What are the key properties of 4-[3-(thiophen-3-ylmethylamino)butyl]phenol?
4-[3-(thiophen-3-ylmethylamino)butyl]phenol has a molecular weight of 261.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(thiophen-3-ylmethylamino)butyl]phenol is sourced from PubChem (CID 43746689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).