N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline

C17H19ClN2O — CID 110505514

IUPACN-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
SMILESCCCOc1ccc(/C=N/Nc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-3-10-21-17-9-6-14(11-16(17)18)12-19-20-15-7-4-13(2)5-8-15/h4-9,11-12,20H,3,10H2,1-2H3/b19-12+
InChIKeyFMVFOEVZDDPZPI-XDHOZWIPSA-N
MW302.81 g/mol
LogP4.88
Rot. Bonds6

About N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline

N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline (PubChem CID 110505514) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
PubChem CID110505514
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
SMILESCCCOc1ccc(/C=N/Nc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-3-10-21-17-9-6-14(11-16(17)18)12-19-20-15-7-4-13(2)5-8-15/h4-9,11-12,20H,3,10H2,1-2H3/b19-12+
InChIKeyFMVFOEVZDDPZPI-XDHOZWIPSA-N
XLogP4.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
N-[(E)-(3-bromo-4-nonoxyphenyl)methylideneamino]-4-methylaniline
CID 110505455
3-chloro-N-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505261
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505520
N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
CID 73242933
[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
CID 110540127
1-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508570
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92658024
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430
2-N-[(3-chloro-4-propoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626909
5-[(2E)-2-[(3-chloro-4-propoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 110514462

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline (CID 110505514) is N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline is CCCOc1ccc(/C=N/Nc2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline?
The InChIKey is FMVFOEVZDDPZPI-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-10-21-17-9-6-14(11-16(17)18)12-19-20-15-7-4-13(2)5-8-15/h4-9,11-12,20H,3,10H2,1-2H3/b19-12+.
What are the key properties of N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline?
N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline has a molecular weight of 302.81 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 110505514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).