3-methyl-5-phenoxyhexan-2-imine

C13H19NO — CID 134275621

IUPAC3-methyl-5-phenoxyhexan-2-imine
SMILES[H]/N=C(\C)C(C)CC(C)Oc1ccccc1
InChIInChI=1S/C13H19NO/c1-10(12(3)14)9-11(2)15-13-7-5-4-6-8-13/h4-8,10-11,14H,9H2,1-3H3/b14-12+
InChIKeyZJRKMRWXEAWEPN-WYMLVPIESA-N
MW205.30 g/mol
LogP3.52
Rot. Bonds5

About 3-methyl-5-phenoxyhexan-2-imine

3-methyl-5-phenoxyhexan-2-imine (PubChem CID 134275621) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-5-phenoxyhexan-2-imine.

Molecular Properties

Compound Name3-methyl-5-phenoxyhexan-2-imine
PubChem CID134275621
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-5-phenoxyhexan-2-imine
SMILES[H]/N=C(\C)C(C)CC(C)Oc1ccccc1
InChIInChI=1S/C13H19NO/c1-10(12(3)14)9-11(2)15-13-7-5-4-6-8-13/h4-8,10-11,14H,9H2,1-3H3/b14-12+
InChIKeyZJRKMRWXEAWEPN-WYMLVPIESA-N
XLogP3.52
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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benzene;ethane;2-phenoxypropan-1-ol
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(2S)-2-(4-phenylphenoxy)propan-1-ol
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N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
1-phenoxyethanol
CID 66611531
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
CID 117066903
3-butan-2-yloxybenzenecarboximidamide
CID 42656931
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
1-phenoxyethanol;trihydrate
CID 175915128

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenoxyhexan-2-imine?
The IUPAC name of 3-methyl-5-phenoxyhexan-2-imine (CID 134275621) is 3-methyl-5-phenoxyhexan-2-imine.
What is the SMILES notation for 3-methyl-5-phenoxyhexan-2-imine?
The canonical SMILES for 3-methyl-5-phenoxyhexan-2-imine is [H]/N=C(\C)C(C)CC(C)Oc1ccccc1.
What is the InChIKey of 3-methyl-5-phenoxyhexan-2-imine?
The InChIKey is ZJRKMRWXEAWEPN-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19NO/c1-10(12(3)14)9-11(2)15-13-7-5-4-6-8-13/h4-8,10-11,14H,9H2,1-3H3/b14-12+.
What are the key properties of 3-methyl-5-phenoxyhexan-2-imine?
3-methyl-5-phenoxyhexan-2-imine has a molecular weight of 205.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenoxyhexan-2-imine is sourced from PubChem (CID 134275621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).