N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine

C16H23N3 — CID 66134447

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCCn1cncc1CNCC(C)(C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-19-13-18-11-15(19)10-17-12-16(2,3)14-8-6-5-7-9-14/h5-9,11,13,17H,4,10,12H2,1-3H3
InChIKeySZSREWOAXZHMFO-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.97
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine

N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 66134447) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID66134447
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCCn1cncc1CNCC(C)(C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-19-13-18-11-15(19)10-17-12-16(2,3)14-8-6-5-7-9-14/h5-9,11,13,17H,4,10,12H2,1-3H3
InChIKeySZSREWOAXZHMFO-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine (CID 66134447) is N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine is CCn1cncc1CNCC(C)(C)c1ccccc1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is SZSREWOAXZHMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-19-13-18-11-15(19)10-17-12-16(2,3)14-8-6-5-7-9-14/h5-9,11,13,17H,4,10,12H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine?
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 66134447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).