3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine

C17H21N3O — CID 65325176

IUPAC3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)c(Cn2ccnc2C(C)C)c1
InChIInChI=1S/C17H21N3O/c1-13(2)17-19-9-10-20(17)12-15-11-16(21-3)7-6-14(15)5-4-8-18/h6-7,9-11,13H,8,12,18H2,1-3H3
InChIKeyKRFMSKZQEBOJRG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.37
Rot. Bonds4

About 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine

3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine (PubChem CID 65325176) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
PubChem CID65325176
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)c(Cn2ccnc2C(C)C)c1
InChIInChI=1S/C17H21N3O/c1-13(2)17-19-9-10-20(17)12-15-11-16(21-3)7-6-14(15)5-4-8-18/h6-7,9-11,13H,8,12,18H2,1-3H3
InChIKeyKRFMSKZQEBOJRG-UHFFFAOYSA-N
XLogP2.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 79183515
3-[2-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 65325186
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N,4-dimethylpentan-2-amine
CID 65325215
[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 106785903
3-[4-methoxy-2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 65325305
3-[4-methoxy-2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 103537537
3-[4-methoxy-2-(pyrimidin-4-ylsulfanylmethyl)phenyl]prop-2-yn-1-amine
CID 65325195
3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964528
[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 107113824
3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 62464912
3-[4-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]prop-2-yn-1-amine
CID 115942439
3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one
CID 65323692

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine (CID 65325176) is 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine is COc1ccc(C#CCN)c(Cn2ccnc2C(C)C)c1.
What is the InChIKey of 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is KRFMSKZQEBOJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)17-19-9-10-20(17)12-15-11-16(21-3)7-6-14(15)5-4-8-18/h6-7,9-11,13H,8,12,18H2,1-3H3.
What are the key properties of 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine?
3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 65325176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).