N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine

C16H23N3 — CID 3062747

IUPACN,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine
SMILESCCC(CN(C)C)(c1ccccc1)n1ccnc1C
InChIInChI=1S/C16H23N3/c1-5-16(13-18(3)4,15-9-7-6-8-10-15)19-12-11-17-14(19)2/h6-12H,5,13H2,1-4H3
InChIKeyNJVZRMRUMHFKFR-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.91
Rot. Bonds5

About N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine

N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine (PubChem CID 3062747) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine
PubChem CID3062747
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine
SMILESCCC(CN(C)C)(c1ccccc1)n1ccnc1C
InChIInChI=1S/C16H23N3/c1-5-16(13-18(3)4,15-9-7-6-8-10-15)19-12-11-17-14(19)2/h6-12H,5,13H2,1-4H3
InChIKeyNJVZRMRUMHFKFR-UHFFFAOYSA-N
XLogP2.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine?
The IUPAC name of N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine (CID 3062747) is N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine?
The canonical SMILES for N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine is CCC(CN(C)C)(c1ccccc1)n1ccnc1C.
What is the InChIKey of N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine?
The InChIKey is NJVZRMRUMHFKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-16(13-18(3)4,15-9-7-6-8-10-15)19-12-11-17-14(19)2/h6-12H,5,13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine?
N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylimidazol-1-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 3062747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).