(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol

C19H29NO2 — CID 157299159

IUPAC(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
SMILES[H]/N=C(\C)CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H29NO2/c1-15(20)7-5-12-19(21)17-10-6-11-18(13-17)22-14-16-8-3-2-4-9-16/h6,10-11,13,16,19-21H,2-5,7-9,12,14H2,1H3/b20-15+/t19-/m1/s1
InChIKeyVMJKNARCLRBKSN-NGYXKBBWSA-N
MW303.45 g/mol
LogP4.89
Rot. Bonds8

About (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol

(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol (PubChem CID 157299159) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol.

Molecular Properties

Compound Name(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
PubChem CID157299159
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
SMILES[H]/N=C(\C)CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H29NO2/c1-15(20)7-5-12-19(21)17-10-6-11-18(13-17)22-14-16-8-3-2-4-9-16/h6,10-11,13,16,19-21H,2-5,7-9,12,14H2,1H3/b20-15+/t19-/m1/s1
InChIKeyVMJKNARCLRBKSN-NGYXKBBWSA-N
XLogP4.89
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.89
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

1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol
CID 87693184
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
CID 172583865
CID 172583865
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol
CID 158343051
CID 172583864
CID 172583864
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
CID 87354283
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
CID 68859179

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol?
The IUPAC name of (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol (CID 157299159) is (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol.
What is the SMILES notation for (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol?
The canonical SMILES for (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol is [H]/N=C(\C)CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol?
The InChIKey is VMJKNARCLRBKSN-NGYXKBBWSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(20)7-5-12-19(21)17-10-6-11-18(13-17)22-14-16-8-3-2-4-9-16/h6,10-11,13,16,19-21H,2-5,7-9,12,14H2,1H3/b20-15+/t19-/m1/s1.
What are the key properties of (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol?
(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol has a molecular weight of 303.45 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol is sourced from PubChem (CID 157299159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).