N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline

C18H20N2O — CID 169382151

IUPACN-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccccc1COCC1CC1
InChIInChI=1S/C18H20N2O/c1-2-8-18(9-3-1)20-19-12-16-6-4-5-7-17(16)14-21-13-15-10-11-15/h1-9,12,15,20H,10-11,13-14H2
InChIKeyXSPOCXDFKIDRBO-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.06
Rot. Bonds7

About N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline

N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline (PubChem CID 169382151) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline
PubChem CID169382151
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccccc1COCC1CC1
InChIInChI=1S/C18H20N2O/c1-2-8-18(9-3-1)20-19-12-16-6-4-5-7-17(16)14-21-13-15-10-11-15/h1-9,12,15,20H,10-11,13-14H2
InChIKeyXSPOCXDFKIDRBO-UHFFFAOYSA-N
XLogP4.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.06
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

[2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine
CID 168529536
[[2-(cyclohexylmethoxymethyl)phenyl]methylideneamino]thiourea
CID 168534501
2-(cyclohexylmethoxymethyl)benzaldehyde
CID 91656697
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626069
N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576941
[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]thiourea
CID 168534500
N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382076
2-(cyclopropylmethoxymethyl)benzohydrazide
CID 63575207
N-[(E)-[(5Z)-5-(phenylhydrazinylidene)pentylidene]amino]aniline
CID 92534205

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline (CID 169382151) is N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1ccccc1COCC1CC1.
What is the InChIKey of N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline?
The InChIKey is XSPOCXDFKIDRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-8-18(9-3-1)20-19-12-16-6-4-5-7-17(16)14-21-13-15-10-11-15/h1-9,12,15,20H,10-11,13-14H2.
What are the key properties of N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline?
N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline has a molecular weight of 280.37 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).