2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine

C17H19NO — CID 23332476

IUPAC2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine
SMILESCC(C)/C=N/Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO/c1-14(2)12-18-13-15-7-6-10-17(11-15)19-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3/b18-12+
InChIKeyXPRPKXYJSAPQIG-LDADJPATSA-N
MW253.35 g/mol
LogP4.71
Rot. Bonds5

About 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine

2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine (PubChem CID 23332476) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine
PubChem CID23332476
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine
SMILESCC(C)/C=N/Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO/c1-14(2)12-18-13-15-7-6-10-17(11-15)19-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3/b18-12+
InChIKeyXPRPKXYJSAPQIG-LDADJPATSA-N
XLogP4.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 110915540
N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine
CID 11046901
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
(3-phenoxyphenyl)methylphosphane
CID 70930904
CID 163958367
CID 163958367
1-pent-2-enyl-3-phenoxybenzene
CID 70370206
1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine
CID 82925202
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1,1-diethyl-2-[(3-phenoxyphenyl)methyl]guanidine
CID 111069350
3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
CID 63456005

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine?
The IUPAC name of 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine (CID 23332476) is 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine is CC(C)/C=N/Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine?
The InChIKey is XPRPKXYJSAPQIG-LDADJPATSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(2)12-18-13-15-7-6-10-17(11-15)19-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3/b18-12+.
What are the key properties of 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine?
2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine has a molecular weight of 253.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine is sourced from PubChem (CID 23332476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).