N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline

C14H19N3O — CID 62743816

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline
SMILESCc1ncc(CNc2ccc(OC(C)C)cc2)[nH]1
InChIInChI=1S/C14H19N3O/c1-10(2)18-14-6-4-12(5-7-14)16-9-13-8-15-11(3)17-13/h4-8,10,16H,9H2,1-3H3,(H,15,17)
InChIKeyOCMWQWBXDYTITA-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline

N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline (PubChem CID 62743816) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline
PubChem CID62743816
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline
SMILESCc1ncc(CNc2ccc(OC(C)C)cc2)[nH]1
InChIInChI=1S/C14H19N3O/c1-10(2)18-14-6-4-12(5-7-14)16-9-13-8-15-11(3)17-13/h4-8,10,16H,9H2,1-3H3,(H,15,17)
InChIKeyOCMWQWBXDYTITA-UHFFFAOYSA-N
XLogP3.12
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-methylsulfonylaniline
CID 62741398
N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 62741428
4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62742136
3-(difluoromethoxy)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743456
tert-butyl N-[2-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]ethyl]carbamate
CID 113415120
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 43663707
4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62699532
1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63001836
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62741215
N-benzyl-4-propan-2-yloxyaniline
CID 28969524

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline (CID 62743816) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline is Cc1ncc(CNc2ccc(OC(C)C)cc2)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline?
The InChIKey is OCMWQWBXDYTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)18-14-6-4-12(5-7-14)16-9-13-8-15-11(3)17-13/h4-8,10,16H,9H2,1-3H3,(H,15,17).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline has a molecular weight of 245.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 62743816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).