N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine

C17H25N3O — CID 66141916

IUPACN-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(C)c1OCc1cncn1C
InChIInChI=1S/C17H25N3O/c1-12(2)19-8-15-6-13(3)17(14(4)7-15)21-10-16-9-18-11-20(16)5/h6-7,9,11-12,19H,8,10H2,1-5H3
InChIKeyAINVVDIDZDNTIR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.11
Rot. Bonds6

About N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine

N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 66141916) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID66141916
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(C)c1OCc1cncn1C
InChIInChI=1S/C17H25N3O/c1-12(2)19-8-15-6-13(3)17(14(4)7-15)21-10-16-9-18-11-20(16)5/h6-7,9,11-12,19H,8,10H2,1-5H3
InChIKeyAINVVDIDZDNTIR-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15917635
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CID 20471574
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CID 652466
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CID 652582
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CID 5194443
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CID 15585631
CID 15585631

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (CID 66141916) is N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cc(C)c1OCc1cncn1C.
What is the InChIKey of N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is AINVVDIDZDNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)19-8-15-6-13(3)17(14(4)7-15)21-10-16-9-18-11-20(16)5/h6-7,9,11-12,19H,8,10H2,1-5H3.
What are the key properties of N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66141916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).