(1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine

C16H23N3 — CID 102074049

IUPAC(1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine
SMILESCCN(CC)[C@@H](C)[C@H](c1ccccc1)n1ccnc1
InChIInChI=1S/C16H23N3/c1-4-18(5-2)14(3)16(19-12-11-17-13-19)15-9-7-6-8-10-15/h6-14,16H,4-5H2,1-3H3/t14-,16+/m0/s1
InChIKeyQLNFOPMZOHWHJW-GOEBONIOSA-N
MW257.38 g/mol
LogP3.20
Rot. Bonds6

About (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine

(1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine (PubChem CID 102074049) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine
PubChem CID102074049
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine
SMILESCCN(CC)[C@@H](C)[C@H](c1ccccc1)n1ccnc1
InChIInChI=1S/C16H23N3/c1-4-18(5-2)14(3)16(19-12-11-17-13-19)15-9-7-6-8-10-15/h6-14,16H,4-5H2,1-3H3/t14-,16+/m0/s1
InChIKeyQLNFOPMZOHWHJW-GOEBONIOSA-N
XLogP3.20
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-1,3-diphenylpropan-2-amine
CID 16782420
1-benzhydrylimidazole;hydrobromide
CID 174865219
N-(2-imidazol-1-yl-2-phenylethyl)-2-methylpropan-1-amine
CID 62446817
N-(1,3-benzothiazol-2-ylmethyl)-4-[2-(dimethylamino)-1-imidazol-1-ylpropyl]aniline
CID 142118477
methanesulfonic acid;1-(1-phenylethyl)imidazole
CID 174969600
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
1-(1,2-diphenylhexan-3-yl)imidazole
CID 69389171
[imidazol-1-yl(phenyl)methyl]hydrazine
CID 102225378
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
1-(4-methyl-1-phenylpentan-3-yl)imidazole
CID 69408176
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
CID 39871151

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine?
The IUPAC name of (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine (CID 102074049) is (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine is CCN(CC)[C@@H](C)[C@H](c1ccccc1)n1ccnc1.
What is the InChIKey of (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine?
The InChIKey is QLNFOPMZOHWHJW-GOEBONIOSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-18(5-2)14(3)16(19-12-11-17-13-19)15-9-7-6-8-10-15/h6-14,16H,4-5H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine?
(1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine is sourced from PubChem (CID 102074049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).