1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea

C15H24N4O2 — CID 114400875

IUPAC1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea
SMILESCCN1CCOC(CNC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C15H24N4O2/c1-2-19-6-7-21-14(11-19)10-17-15(20)18-13-5-3-4-12(8-13)9-16/h3-5,8,14H,2,6-7,9-11,16H2,1H3,(H2,17,18,20)
InChIKeyDWMUIJQFNKNZSS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.99
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea

1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea (PubChem CID 114400875) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea
PubChem CID114400875
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea
SMILESCCN1CCOC(CNC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C15H24N4O2/c1-2-19-6-7-21-14(11-19)10-17-15(20)18-13-5-3-4-12(8-13)9-16/h3-5,8,14H,2,6-7,9-11,16H2,1H3,(H2,17,18,20)
InChIKeyDWMUIJQFNKNZSS-UHFFFAOYSA-N
XLogP0.99
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554413
1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 79071437
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 56519340
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 79165317
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea (CID 114400875) is 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea is CCN1CCOC(CNC(=O)Nc2cccc(CN)c2)C1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea?
The InChIKey is DWMUIJQFNKNZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-19-6-7-21-14(11-19)10-17-15(20)18-13-5-3-4-12(8-13)9-16/h3-5,8,14H,2,6-7,9-11,16H2,1H3,(H2,17,18,20).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea?
1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 114400875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).