N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine

C14H20N4 — CID 55039868

IUPACN-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine
SMILESCCCN(Cc1cccc(N)c1)c1nccn1C
InChIInChI=1S/C14H20N4/c1-3-8-18(14-16-7-9-17(14)2)11-12-5-4-6-13(15)10-12/h4-7,9-10H,3,8,11,15H2,1-2H3
InChIKeyRFLDEUNDBZJJEZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.42
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine

N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine (PubChem CID 55039868) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine
PubChem CID55039868
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine
SMILESCCCN(Cc1cccc(N)c1)c1nccn1C
InChIInChI=1S/C14H20N4/c1-3-8-18(14-16-7-9-17(14)2)11-12-5-4-6-13(15)10-12/h4-7,9-10H,3,8,11,15H2,1-2H3
InChIKeyRFLDEUNDBZJJEZ-UHFFFAOYSA-N
XLogP2.42
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
CID 104777664
N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine
CID 65169131
N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
CID 114869643
5-[(3-aminophenyl)methyl-propylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756312
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
N-[(3-aminophenyl)methyl]-N-propyl-1,3-benzothiazol-2-amine
CID 60877209
4-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60877204
3-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 55041381
3-N-propyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 63230380
N-[(4-aminophenyl)methyl]-N-propylimidazo[1,2-a]pyridin-5-amine
CID 102626248
2-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60876866

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine (CID 55039868) is N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine is CCCN(Cc1cccc(N)c1)c1nccn1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine?
The InChIKey is RFLDEUNDBZJJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-8-18(14-16-7-9-17(14)2)11-12-5-4-6-13(15)10-12/h4-7,9-10H,3,8,11,15H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine?
N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-1-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 55039868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).