4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol

C18H25N3O2 — CID 56796537

IUPAC4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
SMILESCn1ccnc1COc1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C18H25N3O2/c1-21-11-10-19-18(21)13-23-17-8-2-14(3-9-17)12-20-15-4-6-16(22)7-5-15/h2-3,8-11,15-16,20,22H,4-7,12-13H2,1H3
InChIKeyOCXZSWPPVBHZMZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.39
Rot. Bonds6

About 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol

4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol (PubChem CID 56796537) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
PubChem CID56796537
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
SMILESCn1ccnc1COc1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C18H25N3O2/c1-21-11-10-19-18(21)13-23-17-8-2-14(3-9-17)12-20-15-4-6-16(22)7-5-15/h2-3,8-11,15-16,20,22H,4-7,12-13H2,1H3
InChIKeyOCXZSWPPVBHZMZ-UHFFFAOYSA-N
XLogP2.39
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
CID 60523622
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
(6S)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95303181
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66142318
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319361
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
5-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024808

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol (CID 56796537) is 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol is Cn1ccnc1COc1ccc(CNC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is OCXZSWPPVBHZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21-11-10-19-18(21)13-23-17-8-2-14(3-9-17)12-20-15-4-6-16(22)7-5-15/h2-3,8-11,15-16,20,22H,4-7,12-13H2,1H3.
What are the key properties of 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol?
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 56796537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).