N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline

C18H30N2O — CID 170870635

IUPACN,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
SMILESCCN(CC)c1ccc(CCCN2CCOCC2)c(C)c1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)18-9-8-17(16(3)15-18)7-6-10-19-11-13-21-14-12-19/h8-9,15H,4-7,10-14H2,1-3H3
InChIKeyMKZFCZFQWOLOQC-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.11
Rot. Bonds7

About N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline

N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline (PubChem CID 170870635) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
PubChem CID170870635
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
SMILESCCN(CC)c1ccc(CCCN2CCOCC2)c(C)c1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)18-9-8-17(16(3)15-18)7-6-10-19-11-13-21-14-12-19/h8-9,15H,4-7,10-14H2,1-3H3
InChIKeyMKZFCZFQWOLOQC-UHFFFAOYSA-N
XLogP3.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
CID 170869897
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148
3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863629
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
2-[[4-(dimethylamino)-2-methylphenyl]methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111790405
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(4,5-dimethylfuran-2-yl)propyl]morpholine
CID 170871309
4-[3-(2-ethoxy-4-morpholin-4-ylphenyl)propyl]morpholine
CID 170870634

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline?
The IUPAC name of N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline (CID 170870635) is N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline.
What is the SMILES notation for N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline?
The canonical SMILES for N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline is CCN(CC)c1ccc(CCCN2CCOCC2)c(C)c1.
What is the InChIKey of N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline?
The InChIKey is MKZFCZFQWOLOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(5-2)18-9-8-17(16(3)15-18)7-6-10-19-11-13-21-14-12-19/h8-9,15H,4-7,10-14H2,1-3H3.
What are the key properties of N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline?
N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline has a molecular weight of 290.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline is sourced from PubChem (CID 170870635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).