1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea

C15H24N4O2 — CID 79071437

IUPAC1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
SMILESCC(N)c1cccc(NC(=O)NCC2CN(C)CCO2)c1
InChIInChI=1S/C15H24N4O2/c1-11(16)12-4-3-5-13(8-12)18-15(20)17-9-14-10-19(2)6-7-21-14/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H2,17,18,20)
InChIKeyUBUZCRLYBOYYCC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.16
Rot. Bonds4

About 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea

1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea (PubChem CID 79071437) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
PubChem CID79071437
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
SMILESCC(N)c1cccc(NC(=O)NCC2CN(C)CCO2)c1
InChIInChI=1S/C15H24N4O2/c1-11(16)12-4-3-5-13(8-12)18-15(20)17-9-14-10-19(2)6-7-21-14/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H2,17,18,20)
InChIKeyUBUZCRLYBOYYCC-UHFFFAOYSA-N
XLogP1.16
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292
1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea
CID 114400875
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 138010008
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
2-amino-N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312498
N-[3-[[(2R)-4-methylmorpholin-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 94816221
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 79082782

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea (CID 79071437) is 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea is CC(N)c1cccc(NC(=O)NCC2CN(C)CCO2)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea?
The InChIKey is UBUZCRLYBOYYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(16)12-4-3-5-13(8-12)18-15(20)17-9-14-10-19(2)6-7-21-14/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea?
1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 79071437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).