2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide

C13H19ClN2O2 — CID 106344568

IUPAC2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
SMILESCOc1cccc(Cl)c1CNC(C(N)=O)C(C)C
InChIInChI=1S/C13H19ClN2O2/c1-8(2)12(13(15)17)16-7-9-10(14)5-4-6-11(9)18-3/h4-6,8,12,16H,7H2,1-3H3,(H2,15,17)
InChIKeyXEIVWORSAVYRLG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.95
Rot. Bonds6

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

2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide (PubChem CID 106344568) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
PubChem CID106344568
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
SMILESCOc1cccc(Cl)c1CNC(C(N)=O)C(C)C
InChIInChI=1S/C13H19ClN2O2/c1-8(2)12(13(15)17)16-7-9-10(14)5-4-6-11(9)18-3/h4-6,8,12,16H,7H2,1-3H3,(H2,15,17)
InChIKeyXEIVWORSAVYRLG-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 114319688
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
CID 103292466
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide?
The IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide (CID 106344568) is 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide is COc1cccc(Cl)c1CNC(C(N)=O)C(C)C.
What is the InChIKey of 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide?
The InChIKey is XEIVWORSAVYRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(2)12(13(15)17)16-7-9-10(14)5-4-6-11(9)18-3/h4-6,8,12,16H,7H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide?
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide has a molecular weight of 270.76 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 106344568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).