N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline

C19H21BrN2O2 — CID 51415549

IUPACN-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline
SMILESC=CCOc1cc(Br)c(/C=N\Nc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C19H21BrN2O2/c1-4-10-24-19-12-17(20)15(11-18(19)23-5-2)13-21-22-16-8-6-14(3)7-9-16/h4,6-9,11-13,22H,1,5,10H2,2-3H3/b21-13-
InChIKeyKWNWXZHPERGWED-BKUYFWCQSA-N
MW389.29 g/mol
LogP5.17
Rot. Bonds8

About N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline

N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline (PubChem CID 51415549) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline
PubChem CID51415549
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline
SMILESC=CCOc1cc(Br)c(/C=N\Nc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C19H21BrN2O2/c1-4-10-24-19-12-17(20)15(11-18(19)23-5-2)13-21-22-16-8-6-14(3)7-9-16/h4,6-9,11-13,22H,1,5,10H2,2-3H3/b21-13-
InChIKeyKWNWXZHPERGWED-BKUYFWCQSA-N
XLogP5.17
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-ethylthiourea
CID 6276989
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 19617603
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 19617604
1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine
CID 19655769
N-[(Z)-(2-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 6081943
1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 19582469
2-[5-bromo-2-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4997468
N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383375
N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline
CID 9059368
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748
N-[(2-bromo-4-butoxy-5-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618803
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 954154

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline (CID 51415549) is N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline is C=CCOc1cc(Br)c(/C=N\Nc2ccc(C)cc2)cc1OCC.
What is the InChIKey of N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline?
The InChIKey is KWNWXZHPERGWED-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-4-10-24-19-12-17(20)15(11-18(19)23-5-2)13-21-22-16-8-6-14(3)7-9-16/h4,6-9,11-13,22H,1,5,10H2,2-3H3/b21-13-.
What are the key properties of N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline?
N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline has a molecular weight of 389.29 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 51415549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).