2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol

C19H29N3O — CID 70753429

IUPAC2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol
SMILESCc1nccn1CCN(C)Cc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C19H29N3O/c1-16-20-11-12-22(16)14-13-21(4)15-18-7-5-17(6-8-18)9-10-19(2,3)23/h5-8,11-12,23H,9-10,13-15H2,1-4H3
InChIKeyBMUQOYOSXHQELD-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.03
Rot. Bonds8

About 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol

2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol (PubChem CID 70753429) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol
PubChem CID70753429
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol
SMILESCc1nccn1CCN(C)Cc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C19H29N3O/c1-16-20-11-12-22(16)14-13-21(4)15-18-7-5-17(6-8-18)9-10-19(2,3)23/h5-8,11-12,23H,9-10,13-15H2,1-4H3
InChIKeyBMUQOYOSXHQELD-UHFFFAOYSA-N
XLogP3.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
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CID 74238312
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
CID 131900895
4-[4-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]phenyl]-2-methylbutan-2-ol
CID 95893669
[1-[2-[benzyl(methyl)amino]ethyl]imidazol-2-yl]methanol
CID 166381144
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
CID 91834462
[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56909287
3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
CID 91829123
2-methyl-1-(2-methylimidazol-1-yl)propan-2-ol
CID 19434665
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
CID 63759365
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine
CID 86791784
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol (CID 70753429) is 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol is Cc1nccn1CCN(C)Cc1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol?
The InChIKey is BMUQOYOSXHQELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-20-11-12-22(16)14-13-21(4)15-18-7-5-17(6-8-18)9-10-19(2,3)23/h5-8,11-12,23H,9-10,13-15H2,1-4H3.
What are the key properties of 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol?
2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol has a molecular weight of 315.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol is sourced from PubChem (CID 70753429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).