1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol

C17H25NO2 — CID 87693184

IUPAC1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol
SMILES[H]/N=C(\C)CC(O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-13(18)10-17(19)15-8-5-9-16(11-15)20-12-14-6-3-2-4-7-14/h5,8-9,11,14,17-19H,2-4,6-7,10,12H2,1H3/b18-13+
InChIKeyRVVJYWKSZQXYAU-QGOAFFKASA-N
MW275.39 g/mol
LogP4.11
Rot. Bonds6

About 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol

1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol (PubChem CID 87693184) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol.

Molecular Properties

Compound Name1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol
PubChem CID87693184
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol
SMILES[H]/N=C(\C)CC(O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-13(18)10-17(19)15-8-5-9-16(11-15)20-12-14-6-3-2-4-7-14/h5,8-9,11,14,17-19H,2-4,6-7,10,12H2,1H3/b18-13+
InChIKeyRVVJYWKSZQXYAU-QGOAFFKASA-N
XLogP4.11
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
CID 157299159
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
CID 87354283
1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
CID 68859179
CID 172583865
CID 172583865
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 142795569

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol?
The IUPAC name of 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol (CID 87693184) is 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol.
What is the SMILES notation for 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol?
The canonical SMILES for 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol is [H]/N=C(\C)CC(O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol?
The InChIKey is RVVJYWKSZQXYAU-QGOAFFKASA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(18)10-17(19)15-8-5-9-16(11-15)20-12-14-6-3-2-4-7-14/h5,8-9,11,14,17-19H,2-4,6-7,10,12H2,1H3/b18-13+.
What are the key properties of 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol?
1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol is sourced from PubChem (CID 87693184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).