4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline

C17H27N3O — CID 79175232

IUPAC4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline
SMILESCCN1CCOC(CN(Cc2ccc(N)cc2)C2CC2)C1
InChIInChI=1S/C17H27N3O/c1-2-19-9-10-21-17(12-19)13-20(16-7-8-16)11-14-3-5-15(18)6-4-14/h3-6,16-17H,2,7-13,18H2,1H3
InChIKeySYSVOGAEJSZCBN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.95
Rot. Bonds6

About 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline

4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline (PubChem CID 79175232) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline
PubChem CID79175232
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline
SMILESCCN1CCOC(CN(Cc2ccc(N)cc2)C2CC2)C1
InChIInChI=1S/C17H27N3O/c1-2-19-9-10-21-17(12-19)13-20(16-7-8-16)11-14-3-5-15(18)6-4-14/h3-6,16-17H,2,7-13,18H2,1H3
InChIKeySYSVOGAEJSZCBN-UHFFFAOYSA-N
XLogP1.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.95
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

N'-cyclopentyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79166706
4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline
CID 79166888
4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline
CID 64532725
N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 79165317
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
CID 79356213
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylazetidin-3-amine
CID 79182019
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55682446
2,4-diethylmorpholine
CID 58988021
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
4-chloro-3-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171348

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline?
The IUPAC name of 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline (CID 79175232) is 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline?
The canonical SMILES for 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline is CCN1CCOC(CN(Cc2ccc(N)cc2)C2CC2)C1.
What is the InChIKey of 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline?
The InChIKey is SYSVOGAEJSZCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-19-9-10-21-17(12-19)13-20(16-7-8-16)11-14-3-5-15(18)6-4-14/h3-6,16-17H,2,7-13,18H2,1H3.
What are the key properties of 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline?
4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline has a molecular weight of 289.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 79175232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).