(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine

C15H21N3 — CID 107974705

IUPAC(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C15H21N3/c1-15(2,3)12-7-5-11(6-8-12)14(16)13-9-18(4)10-17-13/h5-10,14H,16H2,1-4H3
InChIKeyJNNCBEAMNKRFDK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.77
Rot. Bonds2

About (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine

(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine (PubChem CID 107974705) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
PubChem CID107974705
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C15H21N3/c1-15(2,3)12-7-5-11(6-8-12)14(16)13-9-18(4)10-17-13/h5-10,14H,16H2,1-4H3
InChIKeyJNNCBEAMNKRFDK-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977755
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methanamine
CID 107978063
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812253
(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974964
(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 130509742
N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107974876
(3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine
CID 107977396
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine (CID 107974705) is (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine is Cn1cnc(C(N)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine?
The InChIKey is JNNCBEAMNKRFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)12-7-5-11(6-8-12)14(16)13-9-18(4)10-17-13/h5-10,14H,16H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine?
(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107974705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).