N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

C17H25N3 — CID 62442763

IUPACN-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCc1nccn1Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H25N3/c1-5-16-18-10-11-20(16)13-15-9-7-6-8-14(15)12-19-17(2,3)4/h6-11,19H,5,12-13H2,1-4H3
InChIKeyYUHLNUBVNSRQFZ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.38
Rot. Bonds5

About N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62442763) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62442763
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCc1nccn1Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H25N3/c1-5-16-18-10-11-20(16)13-15-9-7-6-8-14(15)12-19-17(2,3)4/h6-11,19H,5,12-13H2,1-4H3
InChIKeyYUHLNUBVNSRQFZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221302
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62223246
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114930890
3-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465807
1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine
CID 58996638
2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62223778
1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 115475677
N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine
CID 103072227
[3-[(2-ethylimidazol-1-yl)methyl]quinolin-2-yl]hydrazine
CID 62244455
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62442763) is N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CCc1nccn1Cc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YUHLNUBVNSRQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-16-18-10-11-20(16)13-15-9-7-6-8-14(15)12-19-17(2,3)4/h6-11,19H,5,12-13H2,1-4H3.
What are the key properties of N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62442763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).