N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine

C18H23NOS — CID 43286252

IUPACN-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Sc1cccc(OC)c1
InChIInChI=1S/C18H23NOS/c1-4-12-19-14(2)17-10-5-6-11-18(17)21-16-9-7-8-15(13-16)20-3/h5-11,13-14,19H,4,12H2,1-3H3
InChIKeyXUUPGZUTCIECNR-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.91
Rot. Bonds7

About N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine

N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine (PubChem CID 43286252) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
PubChem CID43286252
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Sc1cccc(OC)c1
InChIInChI=1S/C18H23NOS/c1-4-12-19-14(2)17-10-5-6-11-18(17)21-16-9-7-8-15(13-16)20-3/h5-11,13-14,19H,4,12H2,1-3H3
InChIKeyXUUPGZUTCIECNR-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135
N-[1-[5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83111631
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953
N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63531998
N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82956925
1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 43286383
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63805075
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine (CID 43286252) is N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1Sc1cccc(OC)c1.
What is the InChIKey of N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine?
The InChIKey is XUUPGZUTCIECNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-12-19-14(2)17-10-5-6-11-18(17)21-16-9-7-8-15(13-16)20-3/h5-11,13-14,19H,4,12H2,1-3H3.
What are the key properties of N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine?
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43286252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).