N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine

C15H21N3 — CID 65231921

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C15H21N3/c1-12(2)15(13-6-4-3-5-7-13)17-9-8-14-10-16-11-18-14/h3-7,10-12,15,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyVGFISASXDJWIPZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine

N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 65231921) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID65231921
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C15H21N3/c1-12(2)15(13-6-4-3-5-7-13)17-9-8-14-10-16-11-18-14/h3-7,10-12,15,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyVGFISASXDJWIPZ-UHFFFAOYSA-N
XLogP2.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249
2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
CID 60697107
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
CID 55109309
1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232248
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide
CID 70244462
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine
CID 11741669

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine (CID 65231921) is N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCCc1cnc[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is VGFISASXDJWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)15(13-6-4-3-5-7-13)17-9-8-14-10-16-11-18-14/h3-7,10-12,15,17H,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 65231921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).