N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline

C17H20N2S — CID 169383257

IUPACN-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline
SMILESCC(C)CSc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C17H20N2S/c1-14(2)13-20-17-10-8-15(9-11-17)12-18-19-16-6-4-3-5-7-16/h3-12,14,19H,13H2,1-2H3
InChIKeyWWKHVIBMPBRQFG-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.88
Rot. Bonds6

About N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline

N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline (PubChem CID 169383257) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline
PubChem CID169383257
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline
SMILESCC(C)CSc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C17H20N2S/c1-14(2)13-20-17-10-8-15(9-11-17)12-18-19-16-6-4-3-5-7-16/h3-12,14,19H,13H2,1-2H3
InChIKeyWWKHVIBMPBRQFG-UHFFFAOYSA-N
XLogP4.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
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-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
4-[2-[(4-propan-2-ylsulfanylphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841197
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(3-methylsulfanylphenyl)methylideneamino]aniline
CID 169381797
N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
CID 169382287
N-[[3-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382060
4-nitro-N-[(4-propylsulfanylphenyl)methylideneamino]aniline
CID 110842146
4-[(E)-(phenylhydrazinylidene)methyl]benzenecarbothioamide
CID 54604425
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline
CID 169381951

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline (CID 169383257) is N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline is CC(C)CSc1ccc(C=NNc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline?
The InChIKey is WWKHVIBMPBRQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-14(2)13-20-17-10-8-15(9-11-17)12-18-19-16-6-4-3-5-7-16/h3-12,14,19H,13H2,1-2H3.
What are the key properties of N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline?
N-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline has a molecular weight of 284.43 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-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).