1-phenyl-N-(2-propan-2-yloxyethyl)methanimine

C12H17NO — CID 145468461

IUPAC1-phenyl-N-(2-propan-2-yloxyethyl)methanimine
SMILESCC(C)OCC/N=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-11(2)14-9-8-13-10-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/b13-10+
InChIKeyFZHPQOLSSKUCRP-JLHYYAGUSA-N
MW191.27 g/mol
LogP2.53
Rot. Bonds5

About 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine

1-phenyl-N-(2-propan-2-yloxyethyl)methanimine (PubChem CID 145468461) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(2-propan-2-yloxyethyl)methanimine
PubChem CID145468461
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-phenyl-N-(2-propan-2-yloxyethyl)methanimine
SMILESCC(C)OCC/N=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-11(2)14-9-8-13-10-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/b13-10+
InChIKeyFZHPQOLSSKUCRP-JLHYYAGUSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.53
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

2-(benzylideneamino)ethyl-trimethylazanium
CID 13048432
1-[2-(benzylideneamino)ethylsulfonyl]ethanol
CID 139898780
N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
CID 172686597
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
1-(benzylideneamino)-N,N-dimethylmethanamine
CID 70014229
N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine
CID 54258313
(2R)-1-(benzylideneamino)butan-2-ol
CID 99912472
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
CID 139241248
methyl 6-(benzylideneamino)hexanoate
CID 11020797
methyl 2-(benzylideneamino)acetate
CID 132550307
2-(benzylideneamino)-N-tritylethanamine
CID 101473643
N-[3-[diethoxy(methyl)silyl]propyl]-1-phenylmethanimine;N-methylmethanamine
CID 22491514

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine?
The IUPAC name of 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine (CID 145468461) is 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine.
What is the SMILES notation for 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine?
The canonical SMILES for 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine is CC(C)OCC/N=C/c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine?
The InChIKey is FZHPQOLSSKUCRP-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(2)14-9-8-13-10-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/b13-10+.
What are the key properties of 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine?
1-phenyl-N-(2-propan-2-yloxyethyl)methanimine has a molecular weight of 191.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-propan-2-yloxyethyl)methanimine is sourced from PubChem (CID 145468461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).