2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline

C16H26N2O2 — CID 90993901

IUPAC2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
SMILESCCCNc1ccc(OCCN2CCOCC2)cc1C
InChIInChI=1S/C16H26N2O2/c1-3-6-17-16-5-4-15(13-14(16)2)20-12-9-18-7-10-19-11-8-18/h4-5,13,17H,3,6-12H2,1-2H3
InChIKeyNRTNAISRROABND-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds7

About 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline

2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline (PubChem CID 90993901) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline.

Molecular Properties

Compound Name2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
PubChem CID90993901
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
SMILESCCCNc1ccc(OCCN2CCOCC2)cc1C
InChIInChI=1S/C16H26N2O2/c1-3-6-17-16-5-4-15(13-14(16)2)20-12-9-18-7-10-19-11-8-18/h4-5,13,17H,3,6-12H2,1-2H3
InChIKeyNRTNAISRROABND-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline
CID 59587703
methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 143419572
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
CID 173296855
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline?
The IUPAC name of 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline (CID 90993901) is 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline.
What is the SMILES notation for 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline?
The canonical SMILES for 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline is CCCNc1ccc(OCCN2CCOCC2)cc1C.
What is the InChIKey of 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline?
The InChIKey is NRTNAISRROABND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-6-17-16-5-4-15(13-14(16)2)20-12-9-18-7-10-19-11-8-18/h4-5,13,17H,3,6-12H2,1-2H3.
What are the key properties of 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline?
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline has a molecular weight of 278.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline is sourced from PubChem (CID 90993901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).