[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine

C20H25N3O3 — CID 71486270

IUPAC[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine
SMILESCOc1cc(CO/N=C2\CNCC2CN)ccc1OCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-24-20-9-16(14-26-23-18-12-22-11-17(18)10-21)7-8-19(20)25-13-15-5-3-2-4-6-15/h2-9,17,22H,10-14,21H2,1H3/b23-18+
InChIKeyKQUDZNANBFNKNT-PTGBLXJZSA-N
MW355.44 g/mol
LogP2.32
Rot. Bonds8

About [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine

[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine (PubChem CID 71486270) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine
PubChem CID71486270
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine
SMILESCOc1cc(CO/N=C2\CNCC2CN)ccc1OCc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-24-20-9-16(14-26-23-18-12-22-11-17(18)10-21)7-8-19(20)25-13-15-5-3-2-4-6-15/h2-9,17,22H,10-14,21H2,1H3/b23-18+
InChIKeyKQUDZNANBFNKNT-PTGBLXJZSA-N
XLogP2.32
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
CID 131667709
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
3-methoxy-4-phenylmethoxyaniline
CID 27226
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine
CID 166080761
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine (CID 71486270) is [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine is COc1cc(CO/N=C2\CNCC2CN)ccc1OCc1ccccc1.
What is the InChIKey of [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine?
The InChIKey is KQUDZNANBFNKNT-PTGBLXJZSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-24-20-9-16(14-26-23-18-12-22-11-17(18)10-21)7-8-19(20)25-13-15-5-3-2-4-6-15/h2-9,17,22H,10-14,21H2,1H3/b23-18+.
What are the key properties of [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine?
[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine has a molecular weight of 355.44 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 71486270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).