(1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol

C14H22N2O3 — CID 100938614

IUPAC(1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1cccc(CO/N=C\C(O)CNC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-11(2)15-8-13(17)9-16-19-10-12-5-4-6-14(7-12)18-3/h4-7,9,11,13,15,17H,8,10H2,1-3H3/b16-9-
InChIKeyFBDJGUMWHGTRFZ-SXGWCWSVSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds8

About (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol

(1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 100938614) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol
PubChem CID100938614
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1cccc(CO/N=C\C(O)CNC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-11(2)15-8-13(17)9-16-19-10-12-5-4-6-14(7-12)18-3/h4-7,9,11,13,15,17H,8,10H2,1-3H3/b16-9-
InChIKeyFBDJGUMWHGTRFZ-SXGWCWSVSA-N
XLogP1.56
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62107144
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
1-(3,4-dimethoxyphenyl)-3-[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 14369274
N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 62288971
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl nitrate
CID 13376602

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol (CID 100938614) is (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol is COc1cccc(CO/N=C\C(O)CNC(C)C)c1.
What is the InChIKey of (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is FBDJGUMWHGTRFZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)15-8-13(17)9-16-19-10-12-5-4-6-14(7-12)18-3/h4-7,9,11,13,15,17H,8,10H2,1-3H3/b16-9-.
What are the key properties of (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol?
(1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 100938614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).