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

C15H22ClN3O2 — CID 83097596

IUPAC4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1ccc(CN)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)13-4-3-11(8-17)7-12(13)16/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyKDFJWGLXDVPMJV-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.53
Rot. Bonds4

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

4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83097596) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83097596
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1ccc(CN)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)13-4-3-11(8-17)7-12(13)16/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyKDFJWGLXDVPMJV-UHFFFAOYSA-N
XLogP1.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-[2-(aminomethyl)-3-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097593
4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 114845828
4-[4-(aminomethyl)-2-bromophenyl]-N-methylmorpholine-3-carboxamide
CID 83106146
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
CID 83107194
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098354
4-(2-bromo-4-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098057
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
CID 83106780
4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104717017

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83097596) is 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1c1ccc(CN)cc1Cl.
What is the InChIKey of 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is KDFJWGLXDVPMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)13-4-3-11(8-17)7-12(13)16/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83097596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).