[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide

C15H25N2- — CID 87106758

IUPAC[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide
SMILESCCN(CC)C[C@H](C)[C@@H]([N-]C)c1ccccc1
InChIInChI=1S/C15H25N2/c1-5-17(6-2)12-13(3)15(16-4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3/q-1/t13-,15+/m0/s1
InChIKeyZCFIKOGJJWFRQX-DZGCQCFKSA-N
MW233.38 g/mol
LogP3.71
Rot. Bonds7

About [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide

[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide (PubChem CID 87106758) has the molecular formula C15H25N2- and a molecular weight of 233.38 g/mol. Its IUPAC name is [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide.

Molecular Properties

Compound Name[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide
PubChem CID87106758
Molecular FormulaC15H25N2-
Molecular Weight233.38 g/mol
Exact Mass233.20
IUPAC Name[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide
SMILESCCN(CC)C[C@H](C)[C@@H]([N-]C)c1ccccc1
InChIInChI=1S/C15H25N2/c1-5-17(6-2)12-13(3)15(16-4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3/q-1/t13-,15+/m0/s1
InChIKeyZCFIKOGJJWFRQX-DZGCQCFKSA-N
XLogP3.71
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methanidylazanium
CID 87106757
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617124
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride
CID 3030850
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
CID 921494
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106761
(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol
CID 2327359

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide?
The IUPAC name of [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide (CID 87106758) is [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide.
What is the SMILES notation for [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide?
The canonical SMILES for [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide is CCN(CC)C[C@H](C)[C@@H]([N-]C)c1ccccc1.
What is the InChIKey of [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide?
The InChIKey is ZCFIKOGJJWFRQX-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H25N2/c1-5-17(6-2)12-13(3)15(16-4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3/q-1/t13-,15+/m0/s1.
What are the key properties of [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide?
[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide has a molecular weight of 233.38 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide is sourced from PubChem (CID 87106758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).