3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine

C16H19NOS — CID 39372821

IUPAC3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine
SMILESCOc1ccccc1-c1ccc(SCCCN)cc1
InChIInChI=1S/C16H19NOS/c1-18-16-6-3-2-5-15(16)13-7-9-14(10-8-13)19-12-4-11-17/h2-3,5-10H,4,11-12,17H2,1H3
InChIKeyIQLONDGBWMYPHE-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.80
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine

3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine (PubChem CID 39372821) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine
PubChem CID39372821
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine
SMILESCOc1ccccc1-c1ccc(SCCCN)cc1
InChIInChI=1S/C16H19NOS/c1-18-16-6-3-2-5-15(16)13-7-9-14(10-8-13)19-12-4-11-17/h2-3,5-10H,4,11-12,17H2,1H3
InChIKeyIQLONDGBWMYPHE-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.80
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

1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
3-[4-(2,5-dimethylphenyl)phenyl]sulfanylpropan-1-amine
CID 39371168
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
CID 119802470
5-[4-(2-methoxyphenyl)phenyl]-3-methylpentan-1-amine
CID 82542712
methyl 4-[2-(3-aminopropoxy)phenyl]benzoate
CID 170456514
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 69397139
5-phenylsulfanylpentan-1-amine
CID 15227684
3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
CID 170456496
4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119334370

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine?
The IUPAC name of 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine (CID 39372821) is 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine is COc1ccccc1-c1ccc(SCCCN)cc1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine?
The InChIKey is IQLONDGBWMYPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-18-16-6-3-2-5-15(16)13-7-9-14(10-8-13)19-12-4-11-17/h2-3,5-10H,4,11-12,17H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine?
3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)phenyl]sulfanylpropan-1-amine is sourced from PubChem (CID 39372821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).