N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine

C14H18ClN3O — CID 106576265

IUPACN-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1c(C)cccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11-5-3-6-12(15)13(11)17-14-16-7-9-18(14)8-4-10-19-2/h3,5-7,9H,4,8,10H2,1-2H3,(H,16,17)
InChIKeyCCZPXBUANZXHCF-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.63
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine

N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106576265) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106576265
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1c(C)cccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11-5-3-6-12(15)13(11)17-14-16-7-9-18(14)8-4-10-19-2/h3,5-7,9H,4,8,10H2,1-2H3,(H,16,17)
InChIKeyCCZPXBUANZXHCF-UHFFFAOYSA-N
XLogP3.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.63
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-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106563995
N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106560302
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
1-(2-methoxyethyl)-N-(2,4,6-trimethylphenyl)imidazol-2-amine
CID 106555369
N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106558420
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106555948
1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
CID 106569649
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine (CID 106576265) is N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1Nc1c(C)cccc1Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is CCZPXBUANZXHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11-5-3-6-12(15)13(11)17-14-16-7-9-18(14)8-4-10-19-2/h3,5-7,9H,4,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106576265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).