2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol

C12H19NOS — CID 165446376

IUPAC2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol
SMILESCSCc1ccc(CNC(C)CO)cc1
InChIInChI=1S/C12H19NOS/c1-10(8-14)13-7-11-3-5-12(6-4-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyGDBUQDCVSMRYFX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.02
Rot. Bonds6

About 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol

2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol (PubChem CID 165446376) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol
PubChem CID165446376
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol
SMILESCSCc1ccc(CNC(C)CO)cc1
InChIInChI=1S/C12H19NOS/c1-10(8-14)13-7-11-3-5-12(6-4-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyGDBUQDCVSMRYFX-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
1-(1-hydroxypropan-2-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 110929129
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524
2-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
2-[4-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 43776316
2-[(4-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 115656403

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol (CID 165446376) is 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol is CSCc1ccc(CNC(C)CO)cc1.
What is the InChIKey of 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is GDBUQDCVSMRYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(8-14)13-7-11-3-5-12(6-4-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol?
2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 165446376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).