3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine

C18H23NOS — CID 19102986

IUPAC3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
SMILESCCSc1ccccc1OC(CCNC)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-3-21-18-12-8-7-11-17(18)20-16(13-14-19-2)15-9-5-4-6-10-15/h4-12,16,19H,3,13-14H2,1-2H3
InChIKeyYGIMQHWZUZAJQM-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.53
Rot. Bonds8

About 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine

3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine (PubChem CID 19102986) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
PubChem CID19102986
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
SMILESCCSc1ccccc1OC(CCNC)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-3-21-18-12-8-7-11-17(18)20-16(13-14-19-2)15-9-5-4-6-10-15/h4-12,16,19H,3,13-14H2,1-2H3
InChIKeyYGIMQHWZUZAJQM-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
but-2-enedioic acid;3-(4-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 67862670
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 146397496
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
N-methyl-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)propan-1-amine;hydrochloride
CID 87836979

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine (CID 19102986) is 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine is CCSc1ccccc1OC(CCNC)c1ccccc1.
What is the InChIKey of 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is YGIMQHWZUZAJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-21-18-12-8-7-11-17(18)20-16(13-14-19-2)15-9-5-4-6-10-15/h4-12,16,19H,3,13-14H2,1-2H3.
What are the key properties of 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine?
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 19102986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).