3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline

C14H19N3O — CID 66132525

IUPAC3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cccc(OC)c1
InChIInChI=1S/C14H19N3O/c1-3-7-17-11-15-9-13(17)10-16-12-5-4-6-14(8-12)18-2/h4-6,8-9,11,16H,3,7,10H2,1-2H3
InChIKeyMZKCDJAHNMKYGF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.91
Rot. Bonds6

About 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline

3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66132525) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66132525
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cccc(OC)c1
InChIInChI=1S/C14H19N3O/c1-3-7-17-11-15-9-13(17)10-16-12-5-4-6-14(8-12)18-2/h4-6,8-9,11,16H,3,7,10H2,1-2H3
InChIKeyMZKCDJAHNMKYGF-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-propylimidazol-4-yl)methylamino]phenol
CID 66134782
3-methylsulfanyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134358
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531
3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682400
3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134775
4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129575
methyl 4-[(3-propylimidazol-4-yl)methylamino]benzoate
CID 66132729
methyl 3-[(3-ethylimidazol-4-yl)methylamino]benzoate
CID 66133977
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66132525) is 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is MZKCDJAHNMKYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-7-17-11-15-9-13(17)10-16-12-5-4-6-14(8-12)18-2/h4-6,8-9,11,16H,3,7,10H2,1-2H3.
What are the key properties of 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66132525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).