N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine

C18H23NOS — CID 63805075

IUPACN-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(Sc2ccccc2CNC(C)(C)C)c1
InChIInChI=1S/C18H23NOS/c1-18(2,3)19-13-14-8-5-6-11-17(14)21-16-10-7-9-15(12-16)20-4/h5-12,19H,13H2,1-4H3
InChIKeyKPHVMSRORUKYSA-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.73
Rot. Bonds5

About N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine

N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63805075) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63805075
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(Sc2ccccc2CNC(C)(C)C)c1
InChIInChI=1S/C18H23NOS/c1-18(2,3)19-13-14-8-5-6-11-17(14)21-16-10-7-9-15(12-16)20-4/h5-12,19H,13H2,1-4H3
InChIKeyKPHVMSRORUKYSA-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
N-[[6-(3-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80628623
N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63809395
N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807824
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
methyl 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetate
CID 15125730
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63807537
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63804403
1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine
CID 63806472

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (CID 63805075) is N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is COc1cccc(Sc2ccccc2CNC(C)(C)C)c1.
What is the InChIKey of N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KPHVMSRORUKYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-18(2,3)19-13-14-8-5-6-11-17(14)21-16-10-7-9-15(12-16)20-4/h5-12,19H,13H2,1-4H3.
What are the key properties of N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63805075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).