1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine

C15H21N3O — CID 106559873

IUPAC1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
SMILESCOCCCn1ccnc1NCc1ccc(C)cc1
InChIInChI=1S/C15H21N3O/c1-13-4-6-14(7-5-13)12-17-15-16-8-10-18(15)9-3-11-19-2/h4-8,10H,3,9,11-12H2,1-2H3,(H,16,17)
InChIKeyCDDOOIOFSMSGRA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.84
Rot. Bonds7

About 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine

1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine (PubChem CID 106559873) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
PubChem CID106559873
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
SMILESCOCCCn1ccnc1NCc1ccc(C)cc1
InChIInChI=1S/C15H21N3O/c1-13-4-6-14(7-5-13)12-17-15-16-8-10-18(15)9-3-11-19-2/h4-8,10H,3,9,11-12H2,1-2H3,(H,16,17)
InChIKeyCDDOOIOFSMSGRA-UHFFFAOYSA-N
XLogP2.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.84
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

1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570701
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106569801
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(2-methoxyethyl)-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine
CID 106568802
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine (CID 106559873) is 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine is COCCCn1ccnc1NCc1ccc(C)cc1.
What is the InChIKey of 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is CDDOOIOFSMSGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13-4-6-14(7-5-13)12-17-15-16-8-10-18(15)9-3-11-19-2/h4-8,10H,3,9,11-12H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine?
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106559873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).