(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol

C14H19N3O — CID 104922812

IUPAC(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESCn1ccnc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-17-8-7-15-14(17)10-16-13(11-18)9-12-5-3-2-4-6-12/h2-8,13,16,18H,9-11H2,1H3/t13-/m1/s1
InChIKeyQPMBAIFLVJBNBN-CYBMUJFWSA-N
MW245.33 g/mol
LogP1.11
Rot. Bonds6

About (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922812) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922812
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESCn1ccnc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-17-8-7-15-14(17)10-16-13(11-18)9-12-5-3-2-4-6-12/h2-8,13,16,18H,9-11H2,1H3/t13-/m1/s1
InChIKeyQPMBAIFLVJBNBN-CYBMUJFWSA-N
XLogP1.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711534
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261116
(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 104922833
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 63293627
1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 115634136
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
CID 97261191
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol (CID 104922812) is (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol is Cn1ccnc1CN[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is QPMBAIFLVJBNBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-8-7-15-14(17)10-16-13(11-18)9-12-5-3-2-4-6-12/h2-8,13,16,18H,9-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).