N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline

C21H27N3O2 — CID 169383010

IUPACN-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccc(OCCCCN2CCOCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-6-20(7-3-1)23-22-18-19-8-10-21(11-9-19)26-15-5-4-12-24-13-16-25-17-14-24/h1-3,6-11,18,23H,4-5,12-17H2
InChIKeyCCUQGFHOYBTPLH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.62
Rot. Bonds9

About N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline

N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline (PubChem CID 169383010) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
PubChem CID169383010
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccc(OCCCCN2CCOCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-6-20(7-3-1)23-22-18-19-8-10-21(11-9-19)26-15-5-4-12-24-13-16-25-17-14-24/h1-3,6-11,18,23H,4-5,12-17H2
InChIKeyCCUQGFHOYBTPLH-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627162
[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea
CID 168533014
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383008
N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169382491
2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592435
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline
CID 169382566
N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 5171028
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383035

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline (CID 169383010) is N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1ccc(OCCCCN2CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline?
The InChIKey is CCUQGFHOYBTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-6-20(7-3-1)23-22-18-19-8-10-21(11-9-19)26-15-5-4-12-24-13-16-25-17-14-24/h1-3,6-11,18,23H,4-5,12-17H2.
What are the key properties of N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline?
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline has a molecular weight of 353.47 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).