N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine

C14H18FN3O — CID 106560415

IUPACN-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1ccc(C)cc1F
InChIInChI=1S/C14H18FN3O/c1-11-4-5-13(12(15)10-11)17-14-16-6-8-18(14)7-3-9-19-2/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyCABOAGOOVWCIMQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.11
Rot. Bonds6

About N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine

N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106560415) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106560415
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1ccc(C)cc1F
InChIInChI=1S/C14H18FN3O/c1-11-4-5-13(12(15)10-11)17-14-16-6-8-18(14)7-3-9-19-2/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyCABOAGOOVWCIMQ-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.11
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

N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568955
N-(2,5-difluoro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106583661
N-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649
N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106556965
N-(2-bromo-5-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578947
N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106563995
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873
5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
CID 114254404
1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556806
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine (CID 106560415) is N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1Nc1ccc(C)cc1F.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is CABOAGOOVWCIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11-4-5-13(12(15)10-11)17-14-16-6-8-18(14)7-3-9-19-2/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 263.32 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-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106560415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).