(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol

C14H19N3O — CID 104922833

IUPAC(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
SMILESCn1cncc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-17-11-15-8-14(17)9-16-13(10-18)7-12-5-3-2-4-6-12/h2-6,8,11,13,16,18H,7,9-10H2,1H3/t13-/m1/s1
InChIKeyVFELWKQVSFRSLB-CYBMUJFWSA-N
MW245.33 g/mol
LogP1.11
Rot. Bonds6

About (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922833) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922833
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
SMILESCn1cncc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-17-11-15-8-14(17)9-16-13(10-18)7-12-5-3-2-4-6-12/h2-6,8,11,13,16,18H,7,9-10H2,1H3/t13-/m1/s1
InChIKeyVFELWKQVSFRSLB-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol (CID 104922833) is (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol is Cn1cncc1CN[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is VFELWKQVSFRSLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-11-15-8-14(17)9-16-13(10-18)7-12-5-3-2-4-6-12/h2-6,8,11,13,16,18H,7,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(3-methylimidazol-4-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-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).