1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine

C16H25NO — CID 135188620

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine
SMILESCCCCC/N=C/c1ccccc1OC(C)(C)C
InChIInChI=1S/C16H25NO/c1-5-6-9-12-17-13-14-10-7-8-11-15(14)18-16(2,3)4/h7-8,10-11,13H,5-6,9,12H2,1-4H3/b17-13+
InChIKeyNDAQSXTWOXUGIM-GHRIWEEISA-N
MW247.38 g/mol
LogP4.47
Rot. Bonds6

About 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine

1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine (PubChem CID 135188620) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine
PubChem CID135188620
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine
SMILESCCCCC/N=C/c1ccccc1OC(C)(C)C
InChIInChI=1S/C16H25NO/c1-5-6-9-12-17-13-14-10-7-8-11-15(14)18-16(2,3)4/h7-8,10-11,13H,5-6,9,12H2,1-4H3/b17-13+
InChIKeyNDAQSXTWOXUGIM-GHRIWEEISA-N
XLogP4.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
CID 67897520
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
1-(2-bromophenyl)-N-butylmethanimine
CID 67388948
butyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807759
N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine
CID 100996603
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine
CID 110338518
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-[4-[(2-sulfanylphenyl)methylideneamino]butyliminomethyl]benzenethiol
CID 136866170
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine (CID 135188620) is 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine is CCCCC/N=C/c1ccccc1OC(C)(C)C.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine?
The InChIKey is NDAQSXTWOXUGIM-GHRIWEEISA-N. The full InChI is InChI=1S/C16H25NO/c1-5-6-9-12-17-13-14-10-7-8-11-15(14)18-16(2,3)4/h7-8,10-11,13H,5-6,9,12H2,1-4H3/b17-13+.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine?
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine has a molecular weight of 247.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine is sourced from PubChem (CID 135188620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).