4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide

C16H25N3O2 — CID 83098587

IUPAC4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1Cc1ccccc1CN
InChIInChI=1S/C16H25N3O2/c1-12(2)18-16(20)15-11-21-8-7-19(15)10-14-6-4-3-5-13(14)9-17/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyWIVSROTUKVLFJS-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.87
Rot. Bonds5

About 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83098587) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83098587
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1Cc1ccccc1CN
InChIInChI=1S/C16H25N3O2/c1-12(2)18-16(20)15-11-21-8-7-19(15)10-14-6-4-3-5-13(14)9-17/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyWIVSROTUKVLFJS-UHFFFAOYSA-N
XLogP0.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide 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

4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107347522
4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098354
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 83102647
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
4-[[4-(methylamino)-2-pyridinyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83105350
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103891
4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103304
4-[2-(aminomethyl)-3-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097593
ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
CID 83103448

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83098587) is 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1Cc1ccccc1CN.
What is the InChIKey of 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is WIVSROTUKVLFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)18-16(20)15-11-21-8-7-19(15)10-14-6-4-3-5-13(14)9-17/h3-6,12,15H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83098587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).