N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine

C16H19NOS — CID 143451412

IUPACN-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine
SMILESCONCCc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C16H19NOS/c1-18-17-12-11-14-7-9-15(10-8-14)13-19-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3
InChIKeyNSQHTLUBRYALKF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.67
Rot. Bonds7

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

N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine (PubChem CID 143451412) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine
PubChem CID143451412
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine
SMILESCONCCc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C16H19NOS/c1-18-17-12-11-14-7-9-15(10-8-14)13-19-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3
InChIKeyNSQHTLUBRYALKF-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100591769
4-[2-(methoxyamino)ethyl]aniline
CID 143701980
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
dimethyl-[4-(phenylsulfanylmethyl)phenyl]borane;methane
CID 158714978
methyl 2-[4-(phenylsulfanylmethyl)phenyl]benzoate
CID 141275398
N-[(4-benzylsulfanylphenyl)methyl]propan-1-amine
CID 63805583
3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573271
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
1-benzylsulfanyl-4-methylbenzene
CID 10940369
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine?
The IUPAC name of N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine (CID 143451412) is N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine.
What is the SMILES notation for N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine?
The canonical SMILES for N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine is CONCCc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine?
The InChIKey is NSQHTLUBRYALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-18-17-12-11-14-7-9-15(10-8-14)13-19-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3.
What are the key properties of N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine?
N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[4-(phenylsulfanylmethyl)phenyl]ethanamine is sourced from PubChem (CID 143451412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).