N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine

C18H27N3O — CID 58313603

IUPACN-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1C(C)(C)NCc1cncn1C(C)(C)C
InChIInChI=1S/C18H27N3O/c1-17(2,3)21-13-19-11-14(21)12-20-18(4,5)15-9-7-8-10-16(15)22-6/h7-11,13,20H,12H2,1-6H3
InChIKeyZEEXWJLAVXLUFX-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.67
Rot. Bonds5

About N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine

N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine (PubChem CID 58313603) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine
PubChem CID58313603
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1C(C)(C)NCc1cncn1C(C)(C)C
InChIInChI=1S/C18H27N3O/c1-17(2,3)21-13-19-11-14(21)12-20-18(4,5)15-9-7-8-10-16(15)22-6/h7-11,13,20H,12H2,1-6H3
InChIKeyZEEXWJLAVXLUFX-UHFFFAOYSA-N
XLogP3.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110932675
2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)propan-2-amine
CID 56825268
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918
N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 5024229
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896
3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 122145092
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine (CID 58313603) is N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine is COc1ccccc1C(C)(C)NCc1cncn1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine?
The InChIKey is ZEEXWJLAVXLUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-17(2,3)21-13-19-11-14(21)12-20-18(4,5)15-9-7-8-10-16(15)22-6/h7-11,13,20H,12H2,1-6H3.
What are the key properties of N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine?
N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine has a molecular weight of 301.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 58313603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).