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

C14H19N3O — CID 66134768

IUPAC2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccccc1OC
InChIInChI=1S/C14H19N3O/c1-3-8-17-11-15-9-12(17)10-16-13-6-4-5-7-14(13)18-2/h4-7,9,11,16H,3,8,10H2,1-2H3
InChIKeyKKIYPKSJAPTESW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.91
Rot. Bonds6

About 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline

2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66134768) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66134768
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccccc1OC
InChIInChI=1S/C14H19N3O/c1-3-8-17-11-15-9-12(17)10-16-13-6-4-5-7-14(13)18-2/h4-7,9,11,16H,3,8,10H2,1-2H3
InChIKeyKKIYPKSJAPTESW-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

4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129575
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131346
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132525
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
2-(difluoromethylsulfanyl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133125
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66134768) is 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1ccccc1OC.
What is the InChIKey of 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is KKIYPKSJAPTESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-8-17-11-15-9-12(17)10-16-13-6-4-5-7-14(13)18-2/h4-7,9,11,16H,3,8,10H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline?
2-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 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66134768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).