N,N-dimethyl-1-(2-phenoxyphenyl)methanamine

C15H17NO — CID 826600

IUPACN,N-dimethyl-1-(2-phenoxyphenyl)methanamine
SMILESCN(C)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H17NO/c1-16(2)12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3
InChIKeyBBLALPDUHCRAKZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.54
Rot. Bonds4

About N,N-dimethyl-1-(2-phenoxyphenyl)methanamine

N,N-dimethyl-1-(2-phenoxyphenyl)methanamine (PubChem CID 826600) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-phenoxyphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-phenoxyphenyl)methanamine
PubChem CID826600
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN,N-dimethyl-1-(2-phenoxyphenyl)methanamine
SMILESCN(C)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H17NO/c1-16(2)12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3
InChIKeyBBLALPDUHCRAKZ-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-phenoxyphenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-phenoxyphenyl)methanamine (CID 826600) is N,N-dimethyl-1-(2-phenoxyphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-phenoxyphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-phenoxyphenyl)methanamine is CN(C)Cc1ccccc1Oc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(2-phenoxyphenyl)methanamine?
The InChIKey is BBLALPDUHCRAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(2)12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-phenoxyphenyl)methanamine?
N,N-dimethyl-1-(2-phenoxyphenyl)methanamine has a molecular weight of 227.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-phenoxyphenyl)methanamine is sourced from PubChem (CID 826600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).