4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide

C15H21N3O2 — CID 83106502

IUPAC4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESNCc1ccccc1N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C15H21N3O2/c16-9-11-3-1-2-4-13(11)18-7-8-20-10-14(18)15(19)17-12-5-6-12/h1-4,12,14H,5-10,16H2,(H,17,19)
InChIKeyJPBLGHLGMQVGJB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.63
Rot. Bonds4

About 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide

4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83106502) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83106502
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESNCc1ccccc1N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C15H21N3O2/c16-9-11-3-1-2-4-13(11)18-7-8-20-10-14(18)15(19)17-12-5-6-12/h1-4,12,14H,5-10,16H2,(H,17,19)
InChIKeyJPBLGHLGMQVGJB-UHFFFAOYSA-N
XLogP0.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103715
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102210
4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 102814248
4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide
CID 83106285
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693
4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
CID 107933034
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
CID 83106780
N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83101406

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide (CID 83106502) is 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide is NCc1ccccc1N1CCOCC1C(=O)NC1CC1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is JPBLGHLGMQVGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-9-11-3-1-2-4-13(11)18-7-8-20-10-14(18)15(19)17-12-5-6-12/h1-4,12,14H,5-10,16H2,(H,17,19).
What are the key properties of 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide?
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).