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

C16H23N3O2 — CID 83098577

IUPAC4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESNCc1ccc(CN2CCOCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c17-9-12-1-3-13(4-2-12)10-19-7-8-21-11-15(19)16(20)18-14-5-6-14/h1-4,14-15H,5-11,17H2,(H,18,20)
InChIKeyOQBGSLSQPRAOPI-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.62
Rot. Bonds5

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

4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83098577) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83098577
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESNCc1ccc(CN2CCOCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c17-9-12-1-3-13(4-2-12)10-19-7-8-21-11-15(19)16(20)18-14-5-6-14/h1-4,14-15H,5-11,17H2,(H,18,20)
InChIKeyOQBGSLSQPRAOPI-UHFFFAOYSA-N
XLogP0.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103715
3-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-2-carboxylic acid
CID 83102524
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103828
4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
CID 11660454
5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 83101848
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 102814248
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide (CID 83098577) is 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide is NCc1ccc(CN2CCOCC2C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is OQBGSLSQPRAOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-9-12-1-3-13(4-2-12)10-19-7-8-21-11-15(19)16(20)18-14-5-6-14/h1-4,14-15H,5-11,17H2,(H,18,20).
What are the key properties of 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide?
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83098577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).