2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline

C19H25NO — CID 39384066

IUPAC2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCc1cccc(NCc2ccc(OCC(C)C)cc2)c1C
InChIInChI=1S/C19H25NO/c1-14(2)13-21-18-10-8-17(9-11-18)12-20-19-7-5-6-15(3)16(19)4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyJNGVMOKJIFIBEO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.95
Rot. Bonds6

About 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline

2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 39384066) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID39384066
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCc1cccc(NCc2ccc(OCC(C)C)cc2)c1C
InChIInChI=1S/C19H25NO/c1-14(2)13-21-18-10-8-17(9-11-18)12-20-19-7-5-6-15(3)16(19)4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyJNGVMOKJIFIBEO-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39372728
2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54798124
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
CID 54802906
2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384043

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (CID 39384066) is 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is Cc1cccc(NCc2ccc(OCC(C)C)cc2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is JNGVMOKJIFIBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)13-21-18-10-8-17(9-11-18)12-20-19-7-5-6-15(3)16(19)4/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39384066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).