3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline

C21H28N2O2 — CID 156846731

IUPAC3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline
SMILESCc1cc(C)c(OCCN2CCOCC2)c(Cc2cccc(N)c2)c1
InChIInChI=1S/C21H28N2O2/c1-16-12-17(2)21(25-11-8-23-6-9-24-10-7-23)19(13-16)14-18-4-3-5-20(22)15-18/h3-5,12-13,15H,6-11,14,22H2,1-2H3
InChIKeyRMHQVUVNPRYOOG-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.19
Rot. Bonds6

About 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline

3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline (PubChem CID 156846731) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline
PubChem CID156846731
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline
SMILESCc1cc(C)c(OCCN2CCOCC2)c(Cc2cccc(N)c2)c1
InChIInChI=1S/C21H28N2O2/c1-16-12-17(2)21(25-11-8-23-6-9-24-10-7-23)19(13-16)14-18-4-3-5-20(22)15-18/h3-5,12-13,15H,6-11,14,22H2,1-2H3
InChIKeyRMHQVUVNPRYOOG-UHFFFAOYSA-N
XLogP3.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
CID 115958037
4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
CID 137342586
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline?
The IUPAC name of 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline (CID 156846731) is 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline?
The canonical SMILES for 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline is Cc1cc(C)c(OCCN2CCOCC2)c(Cc2cccc(N)c2)c1.
What is the InChIKey of 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline?
The InChIKey is RMHQVUVNPRYOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-12-17(2)21(25-11-8-23-6-9-24-10-7-23)19(13-16)14-18-4-3-5-20(22)15-18/h3-5,12-13,15H,6-11,14,22H2,1-2H3.
What are the key properties of 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline?
3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline has a molecular weight of 340.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 156846731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).