4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline

C17H29N3O — CID 79166888

IUPAC4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline
SMILESCCCN(CC1CN(CC)CCO1)c1ccc(CN)cc1
InChIInChI=1S/C17H29N3O/c1-3-9-20(16-7-5-15(12-18)6-8-16)14-17-13-19(4-2)10-11-21-17/h5-8,17H,3-4,9-14,18H2,1-2H3
InChIKeyIDCKNWPENPMFRX-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.08
Rot. Bonds7

About 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline

4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline (PubChem CID 79166888) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline
PubChem CID79166888
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline
SMILESCCCN(CC1CN(CC)CCO1)c1ccc(CN)cc1
InChIInChI=1S/C17H29N3O/c1-3-9-20(16-7-5-15(12-18)6-8-16)14-17-13-19(4-2)10-11-21-17/h5-8,17H,3-4,9-14,18H2,1-2H3
InChIKeyIDCKNWPENPMFRX-UHFFFAOYSA-N
XLogP2.08
TPSA41.73 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 79165317
3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
CID 79172488
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
4-(aminomethyl)-N-(oxolan-3-ylmethyl)-N-propylaniline
CID 61311480
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline
CID 79175232
3-N-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-N-propylbenzene-1,3-diamine
CID 64533331
N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79164190
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
N'-cyclopentyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79166706
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361
4-ethyl-2-propylmorpholine
CID 127673597

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline (CID 79166888) is 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline is CCCN(CC1CN(CC)CCO1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline?
The InChIKey is IDCKNWPENPMFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-9-20(16-7-5-15(12-18)6-8-16)14-17-13-19(4-2)10-11-21-17/h5-8,17H,3-4,9-14,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline?
4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline has a molecular weight of 291.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline is sourced from PubChem (CID 79166888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).