(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane

C19H25NOS — CID 165109071

IUPAC(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane
SMILESCNCC[C@H](Oc1cccc2c1CCC2)c1ccccc1.S
InChIInChI=1S/C19H23NO.H2S/c1-20-14-13-18(16-7-3-2-4-8-16)21-19-12-6-10-15-9-5-11-17(15)19;/h2-4,6-8,10,12,18,20H,5,9,11,13-14H2,1H3;1H2/t18-;/m0./s1
InChIKeyZQHZUJYLWIMKOQ-FERBBOLQSA-N
MW315.48 g/mol
LogP4.02
Rot. Bonds6

About (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane

(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane (PubChem CID 165109071) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane
PubChem CID165109071
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane
SMILESCNCC[C@H](Oc1cccc2c1CCC2)c1ccccc1.S
InChIInChI=1S/C19H23NO.H2S/c1-20-14-13-18(16-7-3-2-4-8-16)21-19-12-6-10-15-9-5-11-17(15)19;/h2-4,6-8,10,12,18,20H,5,9,11,13-14H2,1H3;1H2/t18-;/m0./s1
InChIKeyZQHZUJYLWIMKOQ-FERBBOLQSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 146397496
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264
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
(3S)-5-(2,3-dihydro-1H-inden-4-yl)-N-methyl-3-phenylpentan-1-amine
CID 167244850
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
bis(3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine);3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 67629133
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
(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-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
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 (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane?
The IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane (CID 165109071) is (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane.
What is the SMILES notation for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane?
The canonical SMILES for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane is CNCC[C@H](Oc1cccc2c1CCC2)c1ccccc1.S.
What is the InChIKey of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane?
The InChIKey is ZQHZUJYLWIMKOQ-FERBBOLQSA-N. The full InChI is InChI=1S/C19H23NO.H2S/c1-20-14-13-18(16-7-3-2-4-8-16)21-19-12-6-10-15-9-5-11-17(15)19;/h2-4,6-8,10,12,18,20H,5,9,11,13-14H2,1H3;1H2/t18-;/m0./s1.
What are the key properties of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane?
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane has a molecular weight of 315.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane is sourced from PubChem (CID 165109071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).