4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol

C14H19N3O — CID 43749727

IUPAC4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
SMILESCC(Cn1ccnc1)NC(C)c1ccc(O)cc1
InChIInChI=1S/C14H19N3O/c1-11(9-17-8-7-15-10-17)16-12(2)13-3-5-14(18)6-4-13/h3-8,10-12,16,18H,9H2,1-2H3
InChIKeyKSOFPBQNPQPSCI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds5

About 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol

4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol (PubChem CID 43749727) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
PubChem CID43749727
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
SMILESCC(Cn1ccnc1)NC(C)c1ccc(O)cc1
InChIInChI=1S/C14H19N3O/c1-11(9-17-8-7-15-10-17)16-12(2)13-3-5-14(18)6-4-13/h3-8,10-12,16,18H,9H2,1-2H3
InChIKeyKSOFPBQNPQPSCI-UHFFFAOYSA-N
XLogP2.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749824
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
CID 43791961
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43791944
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
1-imidazol-1-yl-N-[1-(4-iodophenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 43791898
4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol
CID 43749270
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol (CID 43749727) is 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol is CC(Cn1ccnc1)NC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol?
The InChIKey is KSOFPBQNPQPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(9-17-8-7-15-10-17)16-12(2)13-3-5-14(18)6-4-13/h3-8,10-12,16,18H,9H2,1-2H3.
What are the key properties of 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol?
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43749727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).