3-methyl-4-(3-morpholin-4-ylpropoxy)aniline

C14H22N2O2 — CID 171834800

IUPAC3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
SMILESCc1cc(N)ccc1OCCCN1CCOCC1
InChIInChI=1S/C14H22N2O2/c1-12-11-13(15)3-4-14(12)18-8-2-5-16-6-9-17-10-7-16/h3-4,11H,2,5-10,15H2,1H3
InChIKeyKBLPHOOEBJENBP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds5

About 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline

3-methyl-4-(3-morpholin-4-ylpropoxy)aniline (PubChem CID 171834800) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline.

Molecular Properties

Compound Name3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
PubChem CID171834800
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
SMILESCc1cc(N)ccc1OCCCN1CCOCC1
InChIInChI=1S/C14H22N2O2/c1-12-11-13(15)3-4-14(12)18-8-2-5-16-6-9-17-10-7-16/h3-4,11H,2,5-10,15H2,1H3
InChIKeyKBLPHOOEBJENBP-UHFFFAOYSA-N
XLogP1.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-(3-methoxypropoxy)-3-methylaniline
CID 26190033
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
4-[2-[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]ethyl]morpholine
CID 63214676
1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperazine
CID 2296492

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline?
The IUPAC name of 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline (CID 171834800) is 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline.
What is the SMILES notation for 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline?
The canonical SMILES for 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline is Cc1cc(N)ccc1OCCCN1CCOCC1.
What is the InChIKey of 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline?
The InChIKey is KBLPHOOEBJENBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-11-13(15)3-4-14(12)18-8-2-5-16-6-9-17-10-7-16/h3-4,11H,2,5-10,15H2,1H3.
What are the key properties of 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline?
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline has a molecular weight of 250.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-morpholin-4-ylpropoxy)aniline is sourced from PubChem (CID 171834800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).