4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine

C16H23N3O — CID 61069061

IUPAC4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
SMILESCOc1ccc(C)cc1CNCCCCn1ccnc1
InChIInChI=1S/C16H23N3O/c1-14-5-6-16(20-2)15(11-14)12-17-7-3-4-9-19-10-8-18-13-19/h5-6,8,10-11,13,17H,3-4,7,9,12H2,1-2H3
InChIKeyNVGYCFXTVPOEGA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.77
Rot. Bonds8

About 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine

4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine (PubChem CID 61069061) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
PubChem CID61069061
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
SMILESCOc1ccc(C)cc1CNCCCCn1ccnc1
InChIInChI=1S/C16H23N3O/c1-14-5-6-16(20-2)15(11-14)12-17-7-3-4-9-19-10-8-18-13-19/h5-6,8,10-11,13,17H,3-4,7,9,12H2,1-2H3
InChIKeyNVGYCFXTVPOEGA-UHFFFAOYSA-N
XLogP2.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-yl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156153
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156531
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61071467
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
N-[(5-bromo-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29224809
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
4-[(2-methoxy-5-methylphenyl)methylamino]butanoic acid
CID 43473831
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine (CID 61069061) is 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine is COc1ccc(C)cc1CNCCCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine?
The InChIKey is NVGYCFXTVPOEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14-5-6-16(20-2)15(11-14)12-17-7-3-4-9-19-10-8-18-13-19/h5-6,8,10-11,13,17H,3-4,7,9,12H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine?
4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 61069061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).