4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline

C17H29N3O — CID 64532725

IUPAC4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)CC1CN(C(C)C)CCO1
InChIInChI=1S/C17H29N3O/c1-4-19(11-15-5-7-16(18)8-6-15)12-17-13-20(14(2)3)9-10-21-17/h5-8,14,17H,4,9-13,18H2,1-3H3
InChIKeyKNPAGMCPIJFSQM-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.20
Rot. Bonds6

About 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline

4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline (PubChem CID 64532725) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline
PubChem CID64532725
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)CC1CN(C(C)C)CCO1
InChIInChI=1S/C17H29N3O/c1-4-19(11-15-5-7-16(18)8-6-15)12-17-13-20(14(2)3)9-10-21-17/h5-8,14,17H,4,9-13,18H2,1-3H3
InChIKeyKNPAGMCPIJFSQM-UHFFFAOYSA-N
XLogP2.20
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
3-N-ethyl-3-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,3-diamine
CID 64533330
[4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone
CID 166181835
3-N-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-N-propylbenzene-1,3-diamine
CID 64533331
N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 64532925
2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79662228
N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide
CID 77043475
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
4-propan-2-yl-2-propylmorpholine
CID 118118152
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-3-amine
CID 64535535
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline?
The IUPAC name of 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline (CID 64532725) is 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline?
The canonical SMILES for 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline is CCN(Cc1ccc(N)cc1)CC1CN(C(C)C)CCO1.
What is the InChIKey of 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline?
The InChIKey is KNPAGMCPIJFSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-19(11-15-5-7-16(18)8-6-15)12-17-13-20(14(2)3)9-10-21-17/h5-8,14,17H,4,9-13,18H2,1-3H3.
What are the key properties of 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline?
4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline has a molecular weight of 291.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 64532725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).