2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide

C11H16ClN3O2 — CID 103292977

IUPAC2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
SMILESCOc1cccc(Cl)c1CNCC(N)C(N)=O
InChIInChI=1S/C11H16ClN3O2/c1-17-10-4-2-3-8(12)7(10)5-15-6-9(13)11(14)16/h2-4,9,15H,5-6,13H2,1H3,(H2,14,16)
InChIKeyCFUQSZMIWGIJRZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.25
Rot. Bonds6

About 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide

2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide (PubChem CID 103292977) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
PubChem CID103292977
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
SMILESCOc1cccc(Cl)c1CNCC(N)C(N)=O
InChIInChI=1S/C11H16ClN3O2/c1-17-10-4-2-3-8(12)7(10)5-15-6-9(13)11(14)16/h2-4,9,15H,5-6,13H2,1H3,(H2,14,16)
InChIKeyCFUQSZMIWGIJRZ-UHFFFAOYSA-N
XLogP0.25
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292496
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 113238189
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
CID 115635465
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide
CID 103292415
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide?
The IUPAC name of 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide (CID 103292977) is 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide is COc1cccc(Cl)c1CNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide?
The InChIKey is CFUQSZMIWGIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-17-10-4-2-3-8(12)7(10)5-15-6-9(13)11(14)16/h2-4,9,15H,5-6,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide?
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide has a molecular weight of 257.72 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 103292977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).