N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine

C15H25NOS — CID 63808367

IUPACN-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
SMILESCCCCSc1ccc(CNCCOC)c(C)c1
InChIInChI=1S/C15H25NOS/c1-4-5-10-18-15-7-6-14(13(2)11-15)12-16-8-9-17-3/h6-7,11,16H,4-5,8-10,12H2,1-3H3
InChIKeyBZCBXWORBXSLMO-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.62
Rot. Bonds9

About N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine

N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine (PubChem CID 63808367) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
PubChem CID63808367
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
SMILESCCCCSc1ccc(CNCCOC)c(C)c1
InChIInChI=1S/C15H25NOS/c1-4-5-10-18-15-7-6-14(13(2)11-15)12-16-8-9-17-3/h6-7,11,16H,4-5,8-10,12H2,1-3H3
InChIKeyBZCBXWORBXSLMO-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63804492
2-methoxy-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]ethanamine
CID 63806393
1-(4-butylsulfanyl-2-methylphenyl)-N-methylmethanamine
CID 63808194
N-[(4-butan-2-ylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63806928
N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 60719628
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
2-methoxy-N-[[2-methyl-4-(oxan-4-ylsulfanyl)phenyl]methyl]ethanamine
CID 63813776
2-methoxy-N-[[2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 63806169
2-methoxy-N-[[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]ethanamine
CID 63812718
N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]propan-1-amine
CID 63805372
2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine
CID 66348144

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine (CID 63808367) is N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine is CCCCSc1ccc(CNCCOC)c(C)c1.
What is the InChIKey of N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is BZCBXWORBXSLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-5-10-18-15-7-6-14(13(2)11-15)12-16-8-9-17-3/h6-7,11,16H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine?
N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63808367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).