[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol

C14H21NO2S — CID 111579392

IUPAC[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCOc1ccc(CNCC2(CO)CC2)cc1SC
InChIInChI=1S/C14H21NO2S/c1-17-12-4-3-11(7-13(12)18-2)8-15-9-14(10-16)5-6-14/h3-4,7,15-16H,5-6,8-10H2,1-2H3
InChIKeyDUPAIABOXOMLKC-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.28
Rot. Bonds7

About [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 111579392) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID111579392
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCOc1ccc(CNCC2(CO)CC2)cc1SC
InChIInChI=1S/C14H21NO2S/c1-17-12-4-3-11(7-13(12)18-2)8-15-9-14(10-16)5-6-14/h3-4,7,15-16H,5-6,8-10H2,1-2H3
InChIKeyDUPAIABOXOMLKC-UHFFFAOYSA-N
XLogP2.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243464
[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468980
N-methoxy-1-(4-methoxy-3-methylsulfanylphenyl)methanamine
CID 117304519
N-[(4-methoxy-3-methylsulfanylphenyl)methyl]butan-1-amine
CID 115625509
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 113313423
[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248969
1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 110922677
[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478438
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
1-(3-bromo-4-methoxyphenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455659

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol (CID 111579392) is [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol is COc1ccc(CNCC2(CO)CC2)cc1SC.
What is the InChIKey of [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is DUPAIABOXOMLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-17-12-4-3-11(7-13(12)18-2)8-15-9-14(10-16)5-6-14/h3-4,7,15-16H,5-6,8-10H2,1-2H3.
What are the key properties of [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 267.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 111579392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).