1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine

C19H24N2O3 — CID 92658396

IUPAC1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine
SMILESCOc1ccc(CN/N=C\c2ccccc2OC(C)C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-14(2)24-17-8-6-5-7-16(17)13-21-20-12-15-9-10-18(22-3)19(11-15)23-4/h5-11,13-14,20H,12H2,1-4H3/b21-13-
InChIKeyQZISYULFYRYNQI-BKUYFWCQSA-N
MW328.41 g/mol
LogP3.61
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine

1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine (PubChem CID 92658396) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine
PubChem CID92658396
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine
SMILESCOc1ccc(CN/N=C\c2ccccc2OC(C)C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-14(2)24-17-8-6-5-7-16(17)13-21-20-12-15-9-10-18(22-3)19(11-15)23-4/h5-11,13-14,20H,12H2,1-4H3/b21-13-
InChIKeyQZISYULFYRYNQI-BKUYFWCQSA-N
XLogP3.61
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
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

N-[(E)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169137
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]methanamine
CID 92658395
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169004
4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 92658404
1-(3,4-dimethoxyphenyl)-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]methanamine
CID 92658133
1-(3,4-dimethoxyphenyl)-N-[(E)-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]methanamine
CID 133169189
1-(3,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]methanamine
CID 92658261
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169001
N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline
CID 39371034
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
3,4-dimethyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110841094

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine (CID 92658396) is 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine is COc1ccc(CN/N=C\c2ccccc2OC(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine?
The InChIKey is QZISYULFYRYNQI-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)24-17-8-6-5-7-16(17)13-21-20-12-15-9-10-18(22-3)19(11-15)23-4/h5-11,13-14,20H,12H2,1-4H3/b21-13-.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine?
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine has a molecular weight of 328.41 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 92658396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).