2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol

C14H17NOS — CID 103940711

IUPAC2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
SMILESCc1cccc(CN[C@@H](C)c2cccs2)c1O
InChIInChI=1S/C14H17NOS/c1-10-5-3-6-12(14(10)16)9-15-11(2)13-7-4-8-17-13/h3-8,11,15-16H,9H2,1-2H3/t11-/m0/s1
InChIKeyKBWAYBVIPMCHPI-NSHDSACASA-N
MW247.36 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol

2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol (PubChem CID 103940711) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
PubChem CID103940711
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
SMILESCc1cccc(CN[C@@H](C)c2cccs2)c1O
InChIInChI=1S/C14H17NOS/c1-10-5-3-6-12(14(10)16)9-15-11(2)13-7-4-8-17-13/h3-8,11,15-16H,9H2,1-2H3/t11-/m0/s1
InChIKeyKBWAYBVIPMCHPI-NSHDSACASA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
2-methyl-6-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 115904447
methyl 3-[(2-hydroxy-3-methylphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 115951352
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
4-bromo-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 113229716
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 112553966
methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
CID 115462252
2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
CID 103940654
4-bromo-2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 102675102

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol (CID 103940711) is 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol is Cc1cccc(CN[C@@H](C)c2cccs2)c1O.
What is the InChIKey of 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol?
The InChIKey is KBWAYBVIPMCHPI-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-5-3-6-12(14(10)16)9-15-11(2)13-7-4-8-17-13/h3-8,11,15-16H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol?
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol has a molecular weight of 247.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol is sourced from PubChem (CID 103940711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).