4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol

C15H19NOS — CID 43225843

IUPAC4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
SMILESCC(C)C(NCc1ccc(O)cc1)c1cccs1
InChIInChI=1S/C15H19NOS/c1-11(2)15(14-4-3-9-18-14)16-10-12-5-7-13(17)8-6-12/h3-9,11,15-17H,10H2,1-2H3
InChIKeyFCKKRTISDFYLJU-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.94
Rot. Bonds5

About 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol

4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol (PubChem CID 43225843) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
PubChem CID43225843
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
SMILESCC(C)C(NCc1ccc(O)cc1)c1cccs1
InChIInChI=1S/C15H19NOS/c1-11(2)15(14-4-3-9-18-14)16-10-12-5-7-13(17)8-6-12/h3-9,11,15-17H,10H2,1-2H3
InChIKeyFCKKRTISDFYLJU-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide
CID 43760203
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
2-[4-[[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]methyl]phenoxy]acetonitrile
CID 93027675
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
2-chloro-6-methoxy-4-[[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]methyl]phenol
CID 41099275
2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314555
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 112553966
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103244696
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol (CID 43225843) is 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol is CC(C)C(NCc1ccc(O)cc1)c1cccs1.
What is the InChIKey of 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol?
The InChIKey is FCKKRTISDFYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11(2)15(14-4-3-9-18-14)16-10-12-5-7-13(17)8-6-12/h3-9,11,15-17H,10H2,1-2H3.
What are the key properties of 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol?
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol has a molecular weight of 261.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol is sourced from PubChem (CID 43225843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).