N-butyl-4-morpholin-4-ylaniline

C14H22N2O — CID 28675754

IUPACN-butyl-4-morpholin-4-ylaniline
SMILESCCCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H22N2O/c1-2-3-8-15-13-4-6-14(7-5-13)16-9-11-17-12-10-16/h4-7,15H,2-3,8-12H2,1H3
InChIKeyYMTYPMPBXZYCSG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds5

About N-butyl-4-morpholin-4-ylaniline

N-butyl-4-morpholin-4-ylaniline (PubChem CID 28675754) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-butyl-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-butyl-4-morpholin-4-ylaniline
PubChem CID28675754
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-butyl-4-morpholin-4-ylaniline
SMILESCCCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H22N2O/c1-2-3-8-15-13-4-6-14(7-5-13)16-9-11-17-12-10-16/h4-7,15H,2-3,8-12H2,1H3
InChIKeyYMTYPMPBXZYCSG-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
N-butyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721980
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-morpholin-4-ylaniline?
The IUPAC name of N-butyl-4-morpholin-4-ylaniline (CID 28675754) is N-butyl-4-morpholin-4-ylaniline.
What is the SMILES notation for N-butyl-4-morpholin-4-ylaniline?
The canonical SMILES for N-butyl-4-morpholin-4-ylaniline is CCCCNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-butyl-4-morpholin-4-ylaniline?
The InChIKey is YMTYPMPBXZYCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-8-15-13-4-6-14(7-5-13)16-9-11-17-12-10-16/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of N-butyl-4-morpholin-4-ylaniline?
N-butyl-4-morpholin-4-ylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-morpholin-4-ylaniline is sourced from PubChem (CID 28675754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).