2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline

C23H25NO — CID 54797823

IUPAC2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCc1cccc(NCc2cccc(OCCc3ccccc3)c2)c1C
InChIInChI=1S/C23H25NO/c1-18-8-6-13-23(19(18)2)24-17-21-11-7-12-22(16-21)25-15-14-20-9-4-3-5-10-20/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyLKSCPUCWCMBZJL-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.54
Rot. Bonds7

About 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline

2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline (PubChem CID 54797823) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
PubChem CID54797823
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCc1cccc(NCc2cccc(OCCc3ccccc3)c2)c1C
InChIInChI=1S/C23H25NO/c1-18-8-6-13-23(19(18)2)24-17-21-11-7-12-22(16-21)25-15-14-20-9-4-3-5-10-20/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyLKSCPUCWCMBZJL-UHFFFAOYSA-N
XLogP5.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796665
N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
3-fluoro-2-methyl-N-[(3-propoxyphenyl)methyl]aniline
CID 63454865
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278
N-[(3-butoxyphenyl)methyl]-3-chloro-2-methylaniline
CID 39432297
1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804574
4-hexoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798860
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline (CID 54797823) is 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline is Cc1cccc(NCc2cccc(OCCc3ccccc3)c2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The InChIKey is LKSCPUCWCMBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-18-8-6-13-23(19(18)2)24-17-21-11-7-12-22(16-21)25-15-14-20-9-4-3-5-10-20/h3-13,16,24H,14-15,17H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline has a molecular weight of 331.46 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54797823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).