1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine

C16H23N3 — CID 106899534

IUPAC1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
SMILESCCCn1cncc1CNCc1ccc(CC)cc1
InChIInChI=1S/C16H23N3/c1-3-9-19-13-18-12-16(19)11-17-10-15-7-5-14(4-2)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3
InChIKeyFNWFNZWJAMSVNJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine

1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine (PubChem CID 106899534) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
PubChem CID106899534
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
SMILESCCCn1cncc1CNCc1ccc(CC)cc1
InChIInChI=1S/C16H23N3/c1-3-9-19-13-18-12-16(19)11-17-10-15-7-5-14(4-2)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3
InChIKeyFNWFNZWJAMSVNJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106009505
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
N-[(3-propylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66133126
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
CID 106284688
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine (CID 106899534) is 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine is CCCn1cncc1CNCc1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
The InChIKey is FNWFNZWJAMSVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-9-19-13-18-12-16(19)11-17-10-15-7-5-14(4-2)6-8-15/h5-8,12-13,17H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine?
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 106899534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).