N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline

C17H29N3O — CID 78942834

IUPACN,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline
SMILESCCN(CC)c1ccc(CNCC2CN(C)CCO2)cc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)16-8-6-15(7-9-16)12-18-13-17-14-19(3)10-11-21-17/h6-9,17-18H,4-5,10-14H2,1-3H3
InChIKeyLQNRHAMZSKOIIS-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds7

About N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline

N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline (PubChem CID 78942834) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline
PubChem CID78942834
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline
SMILESCCN(CC)c1ccc(CNCC2CN(C)CCO2)cc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)16-8-6-15(7-9-16)12-18-13-17-14-19(3)10-11-21-17/h6-9,17-18H,4-5,10-14H2,1-3H3
InChIKeyLQNRHAMZSKOIIS-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 78943185
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline (CID 78942834) is N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline is CCN(CC)c1ccc(CNCC2CN(C)CCO2)cc1.
What is the InChIKey of N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline?
The InChIKey is LQNRHAMZSKOIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-20(5-2)16-8-6-15(7-9-16)12-18-13-17-14-19(3)10-11-21-17/h6-9,17-18H,4-5,10-14H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline?
N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline has a molecular weight of 291.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline is sourced from PubChem (CID 78942834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).