(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine

C19H25NOS — CID 11175584

IUPAC(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
SMILESCCCSc1ccccc1O[C@H](CCNC)c1ccccc1
InChIInChI=1S/C19H25NOS/c1-3-15-22-19-12-8-7-11-18(19)21-17(13-14-20-2)16-9-5-4-6-10-16/h4-12,17,20H,3,13-15H2,1-2H3/t17-/m1/s1
InChIKeyJCLUPARNFNPCKE-QGZVFWFLSA-N
MW315.48 g/mol
LogP4.92
Rot. Bonds9

About (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine

(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine (PubChem CID 11175584) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine.

Molecular Properties

Compound Name(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
PubChem CID11175584
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
SMILESCCCSc1ccccc1O[C@H](CCNC)c1ccccc1
InChIInChI=1S/C19H25NOS/c1-3-15-22-19-12-8-7-11-18(19)21-17(13-14-20-2)16-9-5-4-6-10-16/h4-12,17,20H,3,13-15H2,1-2H3/t17-/m1/s1
InChIKeyJCLUPARNFNPCKE-QGZVFWFLSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
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
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
(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
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine?
The IUPAC name of (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine (CID 11175584) is (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine.
What is the SMILES notation for (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine?
The canonical SMILES for (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine is CCCSc1ccccc1O[C@H](CCNC)c1ccccc1.
What is the InChIKey of (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine?
The InChIKey is JCLUPARNFNPCKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NOS/c1-3-15-22-19-12-8-7-11-18(19)21-17(13-14-20-2)16-9-5-4-6-10-16/h4-12,17,20H,3,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine?
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine has a molecular weight of 315.48 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine is sourced from PubChem (CID 11175584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).