N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine

C18H23NOS — CID 63806495

IUPACN-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine
SMILESCOc1ccc(Sc2ccc(CNC(C)C)cc2C)cc1
InChIInChI=1S/C18H23NOS/c1-13(2)19-12-15-5-10-18(14(3)11-15)21-17-8-6-16(20-4)7-9-17/h5-11,13,19H,12H2,1-4H3
InChIKeyHQAFISSZGDMNHE-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.65
Rot. Bonds6

About N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine

N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine (PubChem CID 63806495) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine
PubChem CID63806495
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine
SMILESCOc1ccc(Sc2ccc(CNC(C)C)cc2C)cc1
InChIInChI=1S/C18H23NOS/c1-13(2)19-12-15-5-10-18(14(3)11-15)21-17-8-6-16(20-4)7-9-17/h5-11,13,19H,12H2,1-4H3
InChIKeyHQAFISSZGDMNHE-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-4-phenylsulfanylphenyl)methyl]propan-2-amine
CID 63805209
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine
CID 63806472
N-[[3-methyl-4-(3-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761846
N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63804574
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
CID 91879142
N-[[3-methyl-4-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 63809353

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine (CID 63806495) is N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine is COc1ccc(Sc2ccc(CNC(C)C)cc2C)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is HQAFISSZGDMNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(2)19-12-15-5-10-18(14(3)11-15)21-17-8-6-16(20-4)7-9-17/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 63806495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).