3-[(3-propylimidazol-4-yl)methylamino]phenol

C13H17N3O — CID 66134782

IUPAC3-[(3-propylimidazol-4-yl)methylamino]phenol
SMILESCCCn1cncc1CNc1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-2-6-16-10-14-8-12(16)9-15-11-4-3-5-13(17)7-11/h3-5,7-8,10,15,17H,2,6,9H2,1H3
InChIKeyNNDUAOQPXXQWDE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.61
Rot. Bonds5

About 3-[(3-propylimidazol-4-yl)methylamino]phenol

3-[(3-propylimidazol-4-yl)methylamino]phenol (PubChem CID 66134782) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(3-propylimidazol-4-yl)methylamino]phenol.

Molecular Properties

Compound Name3-[(3-propylimidazol-4-yl)methylamino]phenol
PubChem CID66134782
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[(3-propylimidazol-4-yl)methylamino]phenol
SMILESCCCn1cncc1CNc1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-2-6-16-10-14-8-12(16)9-15-11-4-3-5-13(17)7-11/h3-5,7-8,10,15,17H,2,6,9H2,1H3
InChIKeyNNDUAOQPXXQWDE-UHFFFAOYSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132525
3-methylsulfanyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134358
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
2,6-dichloro-4-[(3-propylimidazol-4-yl)methylamino]phenol
CID 107679308
3-(1,3,4-oxadiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134775
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
3-fluoro-5-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 79054956
methyl 4-[(3-propylimidazol-4-yl)methylamino]benzoate
CID 66132729

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propylimidazol-4-yl)methylamino]phenol?
The IUPAC name of 3-[(3-propylimidazol-4-yl)methylamino]phenol (CID 66134782) is 3-[(3-propylimidazol-4-yl)methylamino]phenol.
What is the SMILES notation for 3-[(3-propylimidazol-4-yl)methylamino]phenol?
The canonical SMILES for 3-[(3-propylimidazol-4-yl)methylamino]phenol is CCCn1cncc1CNc1cccc(O)c1.
What is the InChIKey of 3-[(3-propylimidazol-4-yl)methylamino]phenol?
The InChIKey is NNDUAOQPXXQWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-6-16-10-14-8-12(16)9-15-11-4-3-5-13(17)7-11/h3-5,7-8,10,15,17H,2,6,9H2,1H3.
What are the key properties of 3-[(3-propylimidazol-4-yl)methylamino]phenol?
3-[(3-propylimidazol-4-yl)methylamino]phenol has a molecular weight of 231.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propylimidazol-4-yl)methylamino]phenol is sourced from PubChem (CID 66134782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).