2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine

C14H23NOS — CID 63807612

IUPAC2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(SCC(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-12(2)11-17-14-6-4-13(5-7-14)10-15-8-9-16-3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyKNVYFWXRWWVCSN-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.17
Rot. Bonds8

About 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine

2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine (PubChem CID 63807612) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine
PubChem CID63807612
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(SCC(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-12(2)11-17-14-6-4-13(5-7-14)10-15-8-9-16-3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyKNVYFWXRWWVCSN-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.17
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-[[3-chloro-4-(2-methylpropylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 81160691
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500
2-methoxy-N-[[4-(3-methylbut-3-enylsulfanyl)phenyl]methyl]ethanamine
CID 114476934
N-[[4-(cyclopentylmethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 63814246
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
2-methoxy-N-[[4-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809189
ethyl 2-[4-[(2-methoxyethylamino)methyl]phenyl]sulfanylacetate
CID 55240397
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63806826
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
2-methoxy-N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66348917
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine (CID 63807612) is 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine is COCCNCc1ccc(SCC(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine?
The InChIKey is KNVYFWXRWWVCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-12(2)11-17-14-6-4-13(5-7-14)10-15-8-9-16-3/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine?
2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63807612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).